P. Piecuch

发表

The Ground State Electronic Energy of Benzene.

Daniel S. Levine, Ali Alavi, Ning Zhang, 2020, The journal of physical chemistry letters.

Accurate excited-state energetics by a combination of Monte Carlo sampling and equation-of-motion coupled-cluster computations.

J. Deustua, Jun Shen, P. Piecuch, 2019, The Journal of chemical physics.

Communication: Coupled-cluster interpretation of the photoelectron spectrum of Au₃⁻.

Nicholas P. Bauman, P. Piecuch, M. Ehara, 2014, The Journal of chemical physics.

The method of moments of coupled-cluster equations and the renormalized CCSD[T], CCSD(T), CCSD(TQ), and CCSDT(Q) approaches

Karol Kowalski, Piotr Piecuch, P. Piecuch, 2000 .

Renormalized coupled-cluster methods exploiting left eigenstates of the similarity-transformed Hamiltonian.

Piotr Piecuch, P. Piecuch, M. Włoch, 2005, The Journal of chemical physics.

Extension of the renormalized coupled-cluster methods exploiting left eigenstates of the similarity-transformed hamiltonian to open-shell systems: a benchmark study.

Piotr Piecuch, P. Piecuch, M. Włoch, 2007, The journal of physical chemistry. A.

Recent developments in the general atomic and molecular electronic structure system.

Michael W. Schmidt, Alistair P. Rendell, Bryce M. Westheimer, 2020, The Journal of chemical physics.

Coupled-cluster methods with internal and semi-internal triply and quadruply excited clusters: CCSDt and CCSDtq approaches

Rodney J. Bartlett, Piotr Piecuch, R. Bartlett, 1999 .

The active-space equation-of-motion coupled-cluster methods for excited electronic states: The EOMCCSDt approach

Karol Kowalski, Piotr Piecuch, P. Piecuch, 2000 .

In Search of the Relationship between Multiple Solutions Characterizing Coupled-Cluster Theories

P. Piecuch, K. Kowalski, 2000 .

Renormalized CCSD(T) and CCSD(TQ) approaches: Dissociation of the N2 triple bond

Karol Kowalski, Piotr Piecuch, P. Piecuch, 2000 .

The active-space equation-of-motion coupled-cluster methods for excited electronic states: Full EOMCCSDt

Karol Kowalski, Piotr Piecuch, P. Piecuch, 2001 .

Excited-state potential energy curves of CH+: a comparison of the EOMCCSDt and full EOMCCSDT results

Karol Kowalski, Piotr Piecuch, P. Piecuch, 2001 .

Can ordinary single-reference coupled-cluster methods describe the potential energy curve of N2? The renormalized CCSDT(Q) study

Karol Kowalski, Piotr Piecuch, S. Kucharski, 2001 .

Method of Moments of Coupled-Cluster Equations: A New Theoretical Framework for Designing "Black-Box" Approaches for Molecular Potential Energy Surfaces

S. Kucharski, P. Piecuch, K. Kowalski, 2002 .

Efficient computer implementation of the renormalized coupled-cluster methods: The R-CCSD[T], R-CCSD(T), CR-CCSD[T], and CR-CCSD(T) approaches

Karol Kowalski, Piotr Piecuch, Monika Musiał, 2002 .

Recent advances in electronic structure theory: Method of moments of coupled-cluster equations and renormalized coupled-cluster approaches

Michael J. McGuire, Karol Kowalski, Piotr Piecuch, 2002 .

Method of moments of coupled-cluster equations: a new formalism for designing accurate electronic structure methods for ground and excited states

M. Musiał, M. Musiał, S. Kucharski, 2004 .

New coupled-cluster methods with singles, doubles, and noniterative triples for high accuracy calculations of excited electronic states.

Karol Kowalski, Piotr Piecuch, P. Piecuch, 2004, The Journal of chemical physics.

Extension of renormalized coupled-cluster methods including triple excitations to excited electronic states of open-shell molecules.

Karol Kowalski, Piotr Piecuch, P. Piecuch, 2005, The Journal of chemical physics.

Two new classes of non-iterative coupled-cluster methods derived from the method of moments of coupled-cluster equations

Piotr Piecuch, P. Piecuch, M. Lodriguito, 2006 .

Single-reference, size-extensive, non-iterative coupled-cluster approaches to bond breaking and biradicals

Piotr Piecuch, P. Piecuch, M. Włoch, 2006 .

Left‐eigenstate completely renormalized equation‐of‐motion coupled‐cluster methods: Review of key concepts, extension to excited states of open‐shell systems, and comparison with electron‐attached and ionized approaches

Piotr Piecuch, P. Piecuch, M. Włoch, 2009 .

Advances in the Theory of Atomic and Molecular Systems

P. Piecuch, Stephen Wilson, J. Maruani, 2009 .

Local correlation calculations using standard and renormalized coupled-cluster approaches.

Wei Li, Shuhua Li, Piotr Piecuch, 2009, The Journal of chemical physics.

Improved design of orbital domains within the cluster-in-molecule local correlation framework: single-environment cluster-in-molecule ansatz and its application to local coupled-cluster approach with singles and doubles.

Wei Li, Piotr Piecuch, P. Piecuch, 2010, The journal of physical chemistry. A.

Active-space coupled-cluster methods

Piotr Piecuch, P. Piecuch, 2010 .

Embedding vs Supermolecular Strategies in Evaluating the Hydrogen-Bonding-Induced Shifts of Excitation Energies

Tomasz Adam Wesolowski, Piotr Piecuch, Jesse J. Lutz, 2011 .

Combining active-space coupled-cluster methods with moment energy corrections via the CC(P;Q) methodology, with benchmark calculations for biradical transition states.

Piotr Piecuch, Jun Shen, P. Piecuch, 2012, The Journal of chemical physics.

Merging Active-Space and Renormalized Coupled-Cluster Methods via the CC(P;Q) Formalism, with Benchmark Calculations for Singlet-Triplet Gaps in Biradical Systems.

Jun Shen, P. Piecuch, 2012, Journal of chemical theory and computation.

The Cobalt-Methyl Bond Dissociation in Methylcobalamin: New Benchmark Analysis Based on Density Functional Theory and Completely Renormalized Coupled-Cluster Calculations.

Wei Li, Nicholas P. Bauman, Piotr Lodowski, 2012, Journal of chemical theory and computation.

Biorthogonal moment expansions in coupled-cluster theory: Review of key concepts and merging the renormalized and active-space coupled-cluster methods

Piotr Piecuch, Jun Shen, P. Piecuch, 2012 .

Performance of the completely renormalized equation-of-motion coupled-cluster method in calculations of excited-state potential cuts of water

P. Piecuch, J. Lutz, 2014 .

Benchmarking the completely renormalised equation-of-motion coupled-cluster approaches for vertical excitation energies

Piotr Piecuch, P. Piecuch, Jared A. Hansen, 2015 .

Ab initio coupled-cluster and multi-reference configuration interaction studies of the low-lying electronic states of 1,2,3,4-cyclobutanetetraone

Nicholas P. Bauman, Jun Shen, P. Piecuch, 2016 .

Where does the planar-to-nonplanar turnover occur in small gold clusters?

M. Musiał, S. Kucharski, P. Piecuch, 2005, Journal of the American Chemical Society.

Stereoelectronic effects on molecular geometries and state-energy splittings of ligated monocopper dioxygen complexes.

P. Piecuch, C. Cramer, L. Gagliardi, 2008, The journal of physical chemistry. A.

On the addition theorems for solid spherical harmonics

P. Piecuch, 1986 .

Spherical tensor theory of long-range interactions in a system of N arbitrary molecules including quantum-mechanical many-body effects

P. Piecuch, 1986 .

Spherical tensor theory of long‐range interactions between two molecules

P. Piecuch, 1984 .

The non-additivity of long-range interactions in second-order perturbation theory in the light of spherical tensor formalism

P. Piecuch, 1984 .

Communication: Determining the lowest-energy isomer of Au8: 2D, or not 2D.

Benjamin G. Levine, P. Piecuch, Jared A. Hansen, 2013, The Journal of chemical physics.

Thermochemical kinetics for multireference systems: addition reactions of ozone.

P. Piecuch, D. Truhlar, O. Tishchenko, 2009, The journal of physical chemistry. A.

Vibrational dependence of the dipole moment and radiative transition probabilities in the X1Sigma + state of HF: a linear-response coupled-cluster study

P. Piecuch, J. Paldus, V. Špirko, 1998 .

MOLECULAR QUADRUPOLE MOMENT FUNCTION OF AMMONIA

P. Piecuch, J. Paldus, V. Špirko, 1996 .

Communication: Approaching exact quantum chemistry by cluster analysis of full configuration interaction quantum Monte Carlo wave functions.

Piotr Piecuch, Ilias Magoulas, J. Deustua, 2018, The Journal of chemical physics.

Automated derivation and parallel computer implementation of renormalized and active-space coupled-cluster methods

P. Piecuch, K. Kowalski, P. Fan, 2006 .

Optimization of the Reax force field for the lithium-oxygen system using a high fidelity charge model.

Kurt A. O'Hearn, A. V. van Duin, I. Magoulas, 2020, The Journal of chemical physics.

Coupled-cluster calculations for valence systems around O 16

P. Piecuch, M. Hjorth-Jensen, M. Włoch, 2005, nucl-th/0507049.

Coupled-cluster calculations for valence systems around O 16

P. Piecuch, M. Hjorth-Jensen, M. Włoch, 2005, nucl-th/0507049.

Dual Fluorescence of Octatetraene Hints at a Novel Type of Singlet-to-Singlet Thermally Activated Delayed Fluorescence Process

Chong Ju Choi, Seunghoon Lee, Jun Shen, 2022, The Journal of Physical Chemistry C.

Solving the single‐reference coupled‐cluster equations involving highly excited clusters in quasidegenerate situations

P. Piecuch, L. Adamowicz, 1994 .

Evaluation of density functional methods on the geometric and energetic descriptions of species involved in Cu+-promoted catalysis

P. Piecuch, N. Bauman, Pedro J. Silva, 2013, Journal of Molecular Modeling.

Linear Scaling Local Correlation Extensions of the Standard and Renormalized Coupled-Cluster Methods

P. Piecuch, W. Li, J. R. Gour, 2009 .

The Exploration of Supramolecular Systems and Nanostructures by Photochemical Techniques

E. Brändas, P. Piecuch, J. Maruani, 2011 .

Ab-initio coupled-cluster study of 16O.

P. Piecuch, K. Kowalski, M. Hjorth-Jensen, 2005, Physical review letters.

Coupled cluster calculations of ground and excited states of nuclei.

P. Piecuch, K. Kowalski, M. Hjorth-Jensen, 2003, Physical review letters.

Systematic design of active spaces for multi-reference calculations of singlet-triplet gaps of organic diradicals, with benchmarks against doubly electron-attached coupled-cluster data.

Jun Shen, P. Piecuch, D. Truhlar, 2017, The Journal of chemical physics.

Nuclear Structure Calculations with Coupled Cluster Methods from Quantum Chemistry

P. Piecuch, K. Kowalski, M. Hjorth-Jensen, 2004, nucl-th/0409062.

Higher-order contributions to the intermolecular energy in the perturbation treatment of long-range forces in the light of spherical tensor theory

P. Piecuch, 1984 .

The X1Sigmag+, B1Deltag, and B' 1Sigmag+ states of C2: a comparison of renormalized coupled-cluster and multireference methods with full configuration interaction benchmarks.

P. Piecuch, C. Sherrill, 2005, The Journal of chemical physics.

Addressing strong correlation by approximate coupled-pair methods with active-space and full treatments of three-body clusters

I. Magoulas, Jun Shen, P. Piecuch, 2021, Molecular Physics.

Frontiers in Quantum Systems in Chemistry and Physics

Stephen D. Wilson, P. Piecuch, J. Maruani, 2008 .

Theoretical models on the Cu2O2 torture track: mechanistic implications for oxytyrosinase and small-molecule analogues.

Cristina Puzzarini, Piotr Piecuch, Laura Gagliardi, 2006, The journal of physical chemistry. A.

Intramolecular Relaxation Dynamics Mediated by Solvent-Solute Interactions of Substituted Fluorene Derivatives. Solute Structural Dependence.

J. E. Jackson, P. Piecuch, S. H. Yuwono, 2021, The journal of physical chemistry. B.

Coupled-cluster interpretation of the photoelectron spectrum of Ag3 (.).

Nicholas P. Bauman, P. Piecuch, N. Bauman, 2016, The Journal of chemical physics.

Balancing dynamic and nondynamic correlation for diradical and aromatic transition states: a renormalized coupled-cluster study of the cope rearrangement of 1,5-hexadiene.

P. Piecuch, M. Mcguire, 2005, Journal of the American Chemical Society.

Communication: existence of the doubly excited state that mediates the photoionization of azulene.

P. Piecuch, Jared A. Hansen, V. Blanchet, 2013, The Journal of chemical physics.

Economical Doubly Electron-Attached Equation-of-Motion Coupled-Cluster Methods with an Active-Space Treatment of Three-Particle-One-Hole and Four-Particle-Two-Hole Excitations.

Jun Shen, P. Piecuch, Adeayo O. Ajala, 2017, The journal of physical chemistry. A.

Doubly electron-attached and doubly ionised equation-of-motion coupled-cluster methods with full and active-space treatments of 4-particle–2-hole and 4-hole–2-particle excitations: the role of orbital choices

Jun Shen, P. Piecuch, 2014 .

Doubly electron-attached and doubly ionized equation-of-motion coupled-cluster methods with 4-particle-2-hole and 4-hole-2-particle excitations and their active-space extensions.

Jun Shen, P. Piecuch, 2013, The Journal of chemical physics.

Potential energy curves for the HF− and CH3F− anions: a coupled cluster study

P. Piecuch, 1997 .

Application of the coupled-cluster CC(P;Q) approaches to the magnesium dimer

I. Magoulas, Jun Shen, P. Piecuch, 2019, Molecular Physics.

Symmetry-adapted-cluster configuration-interaction and equation-of-motion coupled-cluster studies of electronically excited states of copper tetrachloride and copper tetrabromide dianions

P. Piecuch, M. Ehara, J. R. Gour, 2012 .

Towards Classification and Analytical Description of Molecular Interactions Including Quantum-Mechanical Many-Body Effects

P. Piecuch, 1988 .

Multilevel extension of the cluster-in-molecule local correlation methodology: merging coupled-cluster and Møller-Plesset perturbation theories.

P. Piecuch, Wei Li, 2010, The journal of physical chemistry. A.

Electron correlation in one dimension: Coupled cluster approaches to cyclic polyene π-electron models

P. Piecuch, J. Paldus, 1992 .

Photoluminescence, photophysics, and photochemistry of the VB− defect in hexagonal boron nitride

Jun Shen, P. Piecuch, J. Reimers, 2020, 2006.16474.

Excited-State Dynamics of a Substituted Fluorene Derivative. The Central Role of Hydrogen Bonding Interactions with the Solvent.

J. E. Jackson, P. Piecuch, S. H. Yuwono, 2021, Journal of Physical Chemistry B.

Proton Abstraction Mediates Interactions Between the Super Photobase FR0-SB and Surrounding Alcohol Solvent.

J. E. Jackson, I. Magoulas, P. Piecuch, 2019, The journal of physical chemistry. B.

Steric effects in light-induced solvent proton abstraction.

J. E. Jackson, I. Magoulas, P. Piecuch, 2020, Physical chemistry chemical physics : PCCP.

Isoenergetic two-photon excitation enhances solvent-to-solute excited-state proton transfer.

J. E. Jackson, I. Magoulas, Jun Shen, 2020, The Journal of chemical physics.

Shifts in Excitation Energies Induced by Hydrogen Bonding: A Comparison of the Embedding and Supermolecular Time-Dependent Density Functional Theory Calculations with the Equation-of-Motion Coupled-Cluster Results

P. Piecuch, T. Wesołowski, M. Włoch, 2012 .

New Alternatives for Electronic Structure Calculations: Renormalized, Extended, and Generalized Coupled-Cluster Theories

P. Piecuch, K. Kowalski, P. Fan, 2003 .

A comparison of the renormalized and active-space coupled-cluster methods: Potential energy curves of BH and F2

P. Piecuch, K. Kowalski, 2001 .

Extension of the method of moments of coupled-cluster equations to a multireference wave operator formalism ☆

Karol Kowalski, Piotr Piecuch, P. Piecuch, 2001 .

STATE-SELECTIVE MULTIREFERENCE COUPLED-CLUSTER THEORY EMPLOYING THE SINGLE-REFERENCE FORMALISM : IMPLEMENTATION AND APPLICATION TO THE H8 MODEL SYSTEM

Ludwik Adamowicz, Piotr Piecuch, P. Piecuch, 1994 .

Potential energy surfaces of NaFH

Donald G. Truhlar, Piotr Piecuch, John C. Polanyi, 1998 .

A comparison of single-reference coupled-cluster and multi-reference configuration interaction methods for representative cuts of the H2S(1A′) potential energy surface

P. Piecuch, A. Varandas, Armağan Kınal, 2008 .

Dynamics of harpooning studied by transition state spectroscopy Na···FH

P. Piecuch, J. Polanyi, R. Ehlich, 1997 .

Photodissociation of LiFH and NaFH van der Waals complexes: A semiclassical trajectory study

P. Piecuch, D. Truhlar, Michael D. Hack, 2001 .

Coupled quasidiabatic potential energy surfaces for LiFH

Donald G. Truhlar, Piotr Piecuch, Ahren W. Jasper, 2002 .

The photoabsorption spectrum of Na⋯FH van der Waals molecule: Comparison of theory and experiment for a harpooning reaction studied by transition state spectroscopy

P. Piecuch, J. Polanyi, D. Truhlar, 1998 .

Can NO2+ exist in bent or cyclic forms?

P. Piecuch, J. Papp, B. Penke, 2001 .

On the significance of quadruply excited clusters in coupled-cluster calculations for the low-lying states of BN and C2

Josef Paldus, Piotr Piecuch, P. Piecuch, 2008 .

Bound and quasi-bound states of the LiFH van der Waals molecule

P. Piecuch, O. Bludský, V. Špirko, 2000 .

Geometries and adiabatic excitation energies of the low-lying valence states of CNC, C2N, N3 and NCO studied with the electron-attached and ionized equation-of-motion coupled-cluster methodologies

P. Piecuch, Jared A. Hansen, J. R. Gour, 2011 .

Parallelization of multi-reference coupled-cluster method

Joseph I. Landman, Piotr Piecuch, P. Piecuch, 2000, Parallel Comput..

Theoretical studies of lithium bonding in lithium chloride/aliphatic amine complexes

W. J. Orville-Thomas, P. Piecuch, C. Rao, 1985 .

Comparison of the completely renormalized equation-of-motion coupled-cluster and Quantum Monte Carlo results for the low-lying electronic states of methylene

Piotr Piecuch, P. Piecuch, M. Włoch, 2010 .

MAPLE symbolic computation of the long‐range many‐body intermolecular potentials: Three‐body induction forces between two atoms and a linear molecule

P. Piecuch, 1993 .

Dynamics of harpooning studied by transition state spectroscopy. II. Li⋅⋅FH

P. Piecuch, J. Polanyi, A. Hudson, 2000 .

Higher-order interaction energies for a system of N arbitrary molecules in the light of spherical tensor theory

P. Piecuch, 1986 .

Geometries, Binding Energies, Ionization Potentials, and Electron Affinities of Metal Clusters: Mgn0, ± 1, n = 1–7

Jun Shen, P. Piecuch, D. Truhlar, 2016 .

Electronic structure of the S1 state in methylcobalamin: Insight from CASSCF/MC‐XQDPT2, EOM‐CCSD, and TD‐DFT calculations

Neeraj Kumar, Bryan M. Wong, Karina Kornobis, 2013, J. Comput. Chem..

Center-of-mass problem in truncated configuration interaction and coupled-cluster calculations

P. Piecuch, J. R. Gour, R. Roth, 2009, 0906.4276.

Ab initio coupled-cluster and configuration interaction calculations for O16 using the VUCOM interaction

P. Piecuch, J. R. Gour, R. Roth, 2008, 0806.0333.

Quantum computation solves a half-century-old enigma: Elusive vibrational states of magnesium dimer found

I. Magoulas, P. Piecuch, S. H. Yuwono, 2020, Science Advances.

Coupled-Cluster Theory for Three-Body Hamiltonians

P. Piecuch, M. Włoch, A. Schwenk, 2007, 0704.2854.

Extension of coupled-cluster theory with a noniterative treatment of connected triply excited clusters to three-body Hamiltonians

P. Piecuch, R. Roth, S. Binder, 2013, 1309.1123.

Coupled-cluster calculations for ground and excited states of closed- and open-shell nuclei using methods of quantum chemistry

P. Piecuch, M. Hjorth-Jensen, M. Włoch, 2005 .

Ab initio coupled cluster calculations for nuclei using methods of quantum chemistry

P. Piecuch, K. Kowalski, M. Hjorth-Jensen, 2005 .

COUPLED-CLUSTER THEORY FOR NUCLEI

P. Piecuch, M. Hjorth-Jensen, M. Włoch, 2006 .

Coupled-cluster and configuration-interaction calculations for odd-A heavy nuclei.

B. A. Brown, P. Piecuch, J. R. Gour, 2008, Physical review letters.

Coupled-cluster and configuration-interaction calculations for heavy nuclei.

B. A. Brown, P. Piecuch, M. Lodriguito, 2007, Physical review letters.

Is Externally Corrected Coupled Cluster Always Better Than the Underlying Truncated Configuration Interaction?

J. Deustua, I. Magoulas, Jun Shen, 2021, Journal of chemical theory and computation.

Extension of Coupled Cluster Methodology to Open Shells: State Universal Approach

P. Piecuch, J. Paldus, B. Jeziorski, 1992 .

Method of moments approach and coupled cluster theory

P. Piecuch, J. Paldus, K. Jankowski, 1991 .

Coupled cluster approaches with an approximate account of triexcitations and the optimized inner projection technique

Josef Paldus, Piotr Piecuch, P. Piecuch, 1990, Physical review. B, Condensed matter.

DFT exchange: sharing perspectives on the workhorse of quantum chemistry and materials science

R. O. Jones, P. Gori-Giorgi, G. Vignale, 2022, Physical chemistry chemical physics : PCCP.

Coupled-cluster approaches with an approximate account of triexcitations and the optimized-inner-projection technique. II. Coupled-cluster results for cyclic-polyene model systems

J. Cizek, P. Piecuch, J. Paldus, 1990 .

The Ground State Electronic Energy of Benzene.

Daniel S. Levine, K. B. Whaley, M. Head‐Gordon, 2020, The journal of physical chemistry letters.

Femtosecond real-time probing of reactions MMXVII: The predissociation of sodium iodide in the A 0+ state

I. Magoulas, P. Piecuch, M. Dantus, 2017 .

Incorporating a completely renormalized coupled cluster approach into a composite method for thermodynamic properties and reaction paths.

Nathan J. DeYonker, P. Piecuch, M. Gordon, 2012, The Journal of chemical physics.

Detailed chemical kinetic modeling of JP-10 (exo- tetrahydrodicyclopentadiene) high-temperature oxidation: Exploring the role of biradical species in initial decomposition steps

Oluwayemisi O. Oluwole, William H. Green, Hsi-Wu Wong, 2012 .

Low-lying valence excited states of CNC, C2N, N3, and NCO studied using the electron-attached and ionized symmetry-adapted-cluster configuration-interaction and equation-of-motion coupled-cluster methodologies

P. Piecuch, M. Ehara, J. R. Gour, 2009 .

The State-Universal Multi-Reference Coupled-Cluster Theory: An Overview of Some Recent Advances

P. Piecuch, K. Kowalski, 2002 .

Behavior of coupled cluster energy in the strongly correlated limit of the cyclic polyene model. Comparison with the exact results

J. Cizek, P. Piecuch, J. Paldus, 1992 .

On the solution of coupled-cluster equations in the fully correlated limit of cyclic polyene model

Josef Paldus, Piotr Piecuch, P. Piecuch, 1991 .

Internal Conversion between Bright (11Bu+) and Dark (21Ag-) States in s-trans-Butadiene and s-trans-Hexatriene.

Chong Ju Choi, Seunghoon Lee, Jun Shen, 2021, The journal of physical chemistry letters.

The state-selective coupled cluster method for quasi-degenerate electronic states

Ludwik Adamowicz, Piotr Piecuch, P. Piecuch, 1998 .

Combined coupled-cluster and many-body perturbation theories.

So Hirata, Marcel Nooijen, Piotr Piecuch, 2004, The Journal of chemical physics.

Exactness of two-body cluster expansions in many-body quantum theory.

Karol Kowalski, Piotr Piecuch, P. Piecuch, 2003, Physical review letters.

Comparison of low-order multireference many-body perturbation theories.

P. Surján, P. Piecuch, K. Kowalski, 2005, The Journal of chemical physics.

Accelerating convergence of equation-of-motion coupled-cluster computations using the semi-stochastic CC(P;Q) formalism

Jun Shen, P. Piecuch, S. H. Yuwono, 2020 .

Efficient formulation and computer implementation of the active-space electron-attached and ionized equation-of-motion coupled-cluster methods.

P. Piecuch, J. R. Gour, 2006, The Journal of chemical physics.

Extension of the active‐space equation‐of‐motion coupled‐cluster methods to radical systems: The EA‐EOMCCSDt and IP‐EOMCCSDt approaches

P. Piecuch, M. Włoch, J. R. Gour, 2006 .

Active-space equation-of-motion coupled-cluster methods for excited states of radicals and other open-shell systems: EA-EOMCCSDt and IP-EOMCCSDt.

P. Piecuch, M. Włoch, J. R. Gour, 2005, The Journal of chemical physics.

Double electron-attachment equation-of-motion coupled-cluster methods with up to 4-particle–2-hole excitations: improved implementation and application to singlet–triplet gaps in ortho-, meta-, and para-benzyne isomers

Jun Shen, P. Piecuch, 2021, Molecular Physics.

Intricacies of van der Waals Interactions in Systems with Elongated Bonds Revealed by Electron-Groups Embedding and High-Level Coupled-Cluster Approaches.

Jun Shen, P. Piecuch, K. Pernal, 2017, Journal of chemical theory and computation.

Combining active-space coupled-cluster approaches with moment energy corrections via the CC(P;Q) methodology: connected quadruple excitations

Nicholas P. Bauman, Jun Shen, P. Piecuch, 2017 .

The XΣg+1, BΔg1, and B′Σg+1 states of C2: A comparison of renormalized coupled-cluster and multireference methods with full configuration interaction benchmarks

C. David Sherrill, Piotr Piecuch, P. Piecuch, 2005 .

Application of renormalized coupled-cluster methods to potential function of water

P. Piecuch, A. Varandas, M. Włoch, 2008 .

Biorthogonal method of moments of coupled‐cluster equations: Alternative derivation, further considerations, and application to a model magnetic system

P. Piecuch, M. Włoch, J. R. Gour, 2008 .

Non-iterative coupled-cluster methods employing multi-reference perturbation theory wave functions

P. Piecuch, K. Kowalski, M. Lodriguito, 2006 .

Extensive generalization of renormalized coupled-cluster methods.

Karol Kowalski, Piotr Piecuch, P. Piecuch, 2005, The Journal of chemical physics.

Orthogonally spin‐adapted state‐universal coupled‐cluster formalism: Implementation of the complete two‐reference theory including cubic and quartic coupling terms

Josef Paldus, Piotr Piecuch, P. Piecuch, 1994 .

Orthogonally spin-adapted multi-reference Hilbert space coupled-cluster formalism: diagrammatic formulation

Josef Paldus, Piotr Piecuch, P. Piecuch, 1992 .

The Electronic Structure and Vibrational Spectrum of trans-HNOO

W. D. Allen, Steven A. Spronk, R. L. Dekock, 2004 .

Diffusion of Atomic Oxygen on the Si(100) Surface

P. Piecuch, M. Gordon, Wei Li, 2010 .

Controlling Quantum Interference between Virtual and Dipole Two-Photon Optical Excitation Pathways Using Phase-Shaped Laser Pulses.

I. Magoulas, P. Piecuch, S. H. Yuwono, 2021, The journal of physical chemistry. A.

NONITERATIVE COUPLED-CLUSTER METHODS FOR EXCITED ELECTRONIC STATES

Piotr Piecuch, P. Piecuch, M. Lodriguito, 2006 .

The Usefulness of Exponential Wave Function Expansions Employing One- and Two-Body Cluster Operators in Electronic Structure Theory: The Extended and Generalized Coupled-Cluster Methods

Piotr Piecuch, P. Piecuch, P. Fan, 2006 .

Method of moments of coupled-cluster equations: The quasivariational and quadratic approximations

P. Piecuch, K. Kowalski, I. Pimienta, 2003 .

Improved computational strategy for the state‐selective coupled‐cluster theory with semi‐internal triexcited clusters: Potential energy surface of the HF molecule

P. Piecuch, L. Adamowicz, K. B. Ghose, 1995 .

Orthogonally spin-adapted coupled-cluster equations involving singly and doubly excited clusters. Comparison of different procedures for spin-adaptation

Josef Paldus, Piotr Piecuch, P. Piecuch, 1989 .

Bound and quasi-bound states of the Li⋯FH van der Waals molecule: The effects of the potential energy surface and of the basis set superposition error

P. Piecuch, O. Bludský, V. Špirko, 2002 .

Can ordinary single-reference coupled-cluster methods describe potential energy surfaces with nearly spectroscopic accuracy? The renormalized coupled-cluster study of the vibrational spectrum of HF

S. Kucharski, P. Piecuch, K. Kowalski, 2001 .

Lifetimes and dissociation pathways of the quasi-bound states of the Na· · ·FH van der Waals molecule

P. Piecuch, O. Bludský, V. Špirko, 2000 .

Bound and quasibound states of the Na⋯FH van der Waals molecule

P. Piecuch, O. Bludský, V. Špirko, 2000 .

Coupled-cluster methods with internal and semi-internal triply excited clusters: Vibrational spectrum of the HF molecule

S. Kucharski, P. Piecuch, V. Špirko, 1999 .

Molecular quadrupole moment functions of HF and N2. II. Rovibrational effects

P. Piecuch, J. Paldus, V. Špirko, 1996 .

Theoretical characterization of end-on and side-on peroxide coordination in ligated Cu2O2 models.

Piotr Piecuch, Laura Gagliardi, Christopher J Cramer, 2006, The journal of physical chemistry. A.

New type of noniterative energy corrections for excited electronic states: Extension of the method of moments of coupled-cluster equations to the equation-of-motion coupled-cluster formalism

P. Piecuch, K. Kowalski, 2001 .

The convergence of energy expansions for molecules in electrostatic fields: A linear‐response coupled‐cluster study

Josef Paldus, Piotr Piecuch, P. Piecuch, 1997 .

Molecular quadrupole moment functions of HF and N2. I. Ab initio linear‐response coupled‐cluster results

P. Piecuch, J. Paldus, V. Špirko, 1996 .

A state-selective multireference coupled-cluster theory employing the single-reference formalism

Ludwik Adamowicz, Piotr Piecuch, P. Piecuch, 1993 .

Spherical tensor theory of long-range interactions in a system of N arbitrary molecules including quantum-mechanical many-body effects IV. The use of cartesian-spherical transformation formalism

P. Piecuch, 1989 .

Supplement to spherical tensor theory of long‐range interactions between two molecules

P. Piecuch, 1985 .

Aerobic oxidation of methanol to formic acid on Au8-: benchmark analysis based on completely renormalized coupled-cluster and density functional theory calculations.

P. Piecuch, M. Ehara, Jared A. Hansen, 2013, The journal of physical chemistry. A.

Method of moments for the continuous transition between the Brillouin–Wigner-type and Rayleigh–Schrödinger-type multireference coupled cluster theories

Jiří Pittner, Piotr Piecuch, P. Piecuch, 2009 .

Extrapolating potential energy surfaces by scaling electron correlation: isomerization of bicyclobutane to butadiene.

P. Piecuch, J. Lutz, 2008, The Journal of chemical physics.

A comparative assessment of the perturbative and renormalized coupled cluster theories with a noniterative treatment of triple excitations for thermochemical kinetics, including a study of basis set and core correlation effects.

Donald G Truhlar, Jingjing Zheng, Piotr Piecuch, 2008, The Journal of chemical physics.

Breaking bonds with the left eigenstate completely renormalized coupled-cluster method.

P. Piecuch, Yingbin Ge, M. Gordon, 2007, The Journal of chemical physics.

RENORMALIZED COUPLED-CLUSTER METHODS: THEORETICAL FOUNDATIONS AND APPLICATION TO THE POTENTIAL FUNCTION OF WATER

P. Piecuch, A. Varandas, M. Włoch, 2007 .

Active-space coupled-cluster study of electronic states of Be3.

P. Piecuch, K. Kowalski, S. Hirata, 2005, The Journal of chemical physics.

Renormalized coupled-cluster calculations of reactive potential energy surfaces: A comparison of the CCSD(T), renormalized CCSD(T), and full configuration interaction results for the collinear BeFH system

P. Piecuch, K. Kowalski, M. Mcguire, 2002 .

Extension of the method of moments of coupled-cluster equations to excited states: The triples and quadruples corrections to the equation-of-motion coupled-cluster singles and doubles energies

Karol Kowalski, Piotr Piecuch, P. Piecuch, 2002 .

EOMXCC: A New Coupled-Cluster Method for Electronic Excited States

R. Bartlett, P. Piecuch, 1999 .

State‐selective multireference coupled‐cluster theory: In pursuit of property calculation

P. Piecuch, L. Adamowicz, S. Pal, 1996 .

Orthogonally spin‐adapted single‐reference coupled‐cluster formalism: Linear response calculation of static properties

P. Piecuch, J. Paldus, A. E. Kondo, 1995 .

Method of Moments of Coupled Cluster Equations Employing Multi-Reference Perturbation Theory Wavefunctions: General Formalism, Diagrammatic Formulation, Implementation, and Benchmark Studies

P. Piecuch, M. Lodriguito, 2008 .

Cartesian-Spherical Transformation Formalism and the Theoretical Insight into Many-Body Long-Range Forces of the Electrostatic Origin in Multimolecular Systems

P. Piecuch, 1987 .

Note on the multipole expansion in the spherical tensor form

P. Piecuch, 1985 .

Invariance properties of the multipole expansion

P. Piecuch, 1982 .

Active-space symmetry-adapted-cluster configuration-interaction and equation-of-motion coupled-cluster methods for high accuracy calculations of potential energy surfaces of radicals.

P. Piecuch, H. Nakatsuji, M. Ehara, 2007, The Journal of chemical physics.

BREAKING BONDS WITH THE STATE-SELECTIVE MULTIREFERENCE COUPLED-CLUSTER METHOD EMPLOYING THE SINGLE-REFERENCE FORMALISM

P. Piecuch, L. Adamowicz, 1995 .

Can a single-reference approach provide a balanced description of ground and excited states? A comparison of the completely renormalized equation-of-motion coupled-cluster method with multireference quasidegenerate perturbation theory near a conical intersection and along a photodissociation coordin

Donald G Truhlar, Piotr Piecuch, Shikha Nangia, 2005, The journal of physical chemistry. A.

Application of the CC(P;Q) Hierarchy of Coupled-Cluster Methods to the Beryllium Dimer.

Nicholas P. Bauman, I. Magoulas, Jun Shen, 2017, The journal of physical chemistry. A.

Complete set of solutions of multireference coupled-cluster equations: The state-universal formalism

Karol Kowalski, Piotr Piecuch, P. Piecuch, 2000 .

Is the mechanism of the [2+2] cycloaddition of cyclopentyne to ethylene concerted or biradical? A completely renormalized coupled cluster study.

Piotr Piecuch, P. Piecuch, Armagan Kinal, 2006, The journal of physical chemistry. A.

The nonadditive interactions in the Ar2HF and Ar2HCl clusters: An ab initio study

P. Piecuch, M. Szczęśniak, asiński, 1993 .

Converging High-Level Coupled-Cluster Energetics by Monte Carlo Sampling and Moment Expansions.

Piotr Piecuch, J. Deustua, Jun Shen, 2017, Physical review letters.

Method of Moments of Coupled-Cluster Equations: Externally Corrected Approaches Employing Configuration Interaction Wave Functions

P. Piecuch, K. Kowalski, I. Pimienta, 2002 .

An ab initio determination of 1A1-3B1 energy gap in CH2 using orthogonally spin-adapted state-universal and state-specific coupled-cluster methods

P. Piecuch, J. Paldus, Xiangzhu Li, 1994 .

Converging high-level coupled-cluster energetics via adaptive selection of excitation manifolds driven by moment expansions.

P. Piecuch, K. Gururangan, 2023, The Journal of chemical physics.

The X , B , and B ′ states of C 2 : A comparison of renormalized coupled-cluster and multireference methods with full configuration interaction benchmarks

P. Piecuch, C. Sherrill, 2013 .

Intriguing accuracies of the exponential wave function expansions exploiting finite two-body correlation operators in calculations for many-electron systems

Piotr Piecuch, P. Piecuch, P. Fan, 2006 .

Femtosecond intramolecular rearrangement of the CH3NCS radical cation.

P. Piecuch, M. Dantus, B. Jochim, 2022, Journal of Chemical Physics.

Systematic design of active spaces for multi-reference calculations of singlet-triplet gaps of organic diradicals, with benchmarks against doubly electron-attached coupled-cluster data.

Jun Shen, P. Piecuch, D. Truhlar, 2017, The Journal of chemical physics.

Bridging quantum chemistry and nuclear structure theory: Coupled‐cluster calculations for closed‐ and open‐shell nuclei

P. Piecuch, M. Hjorth-Jensen, M. Włoch, 2005 .

A study of 1A1-3B1 separation in CH2 using orthogonally spin-adapted state-universal and state-specific coupled-cluster methods

P. Piecuch, J. Paldus, Xiangzhu Li, 1994 .

Coupled‐Cluster approaches with an approximate account of triply and quadruply excited clusters: Implementation of the orthogonally spin‐adapted CCD + ST(CCD), CCSD + T(CCSD), and ACPQ + ST(ACPQ) formalisms

P. Piecuch, J. Paldus, R. Toboła, 1995 .

Complete set of solutions of the generalized Bloch equation

P. Piecuch, K. Kowalski, 2000 .

The General Atomic and Molecular Electronic Structure System (GAMESS): Novel Methods on Novel Architectures.

Alistair P. Rendell, Bryce M. Westheimer, Jorge L Galvez Vallejo, 2023, Journal of chemical theory and computation.

A General Reaction Path Dual-Level Direct Dynamics Calculation of the Reaction of Hydroxyl Radical with Dimethyl Sulfide

Piotr Piecuch, P. Piecuch, M. G. Cory, 2000 .

Merging Active-Space and Renormalized Coupled-Cluster Methods via the CC(P;Q) Formalism, with Benchmark Calculations for Singlet-Triplet Gaps in Biradical Systems.

Jun Shen, P. Piecuch, 2012, Journal of chemical theory and computation.

The Singlet-Triplet Gap of Cyclobutadiene: The CIPSI-Driven CC($P$;$Q$) Study

Jun Shen, P. Piecuch, K. Gururangan, 2024, 2405.15864.

Breaking bonds of open-shell species with the restricted open-shell size extensive left eigenstate completely renormalized coupled-cluster method.

P. Piecuch, Yingbin Ge, M. Gordon, 2008, The journal of physical chemistry. A.

Renormalized Coupled-Cluster Calculations of Reactive Potential Energy Surfaces: The BeFH System†

Michael J. McGuire, Karol Kowalski, Piotr Piecuch, 2004 .

STATE-SELECTIVE MULTI-REFERENCE COUPLED-CLUSTER THEORY EMPLOYING THE SINGLE-REFERENCE FORMALISM : APPLICATION TO AN EXCITED STATE OF H8

P. Piecuch, L. Adamowicz, V. Alexandrov, 1995 .

The state-universal multi-reference coupled-cluster theory with perturbative description of core-virtual excitations

P. Piecuch, K. Kowalski, 2001 .

Infrared absorption line strengths of the Na⋯FH van der Waals molecule

P. Piecuch, D. Truhlar, M. Topaler, 1999 .