M. Włoch

发表

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.

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.

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 .

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

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

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.

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.

Ab-initio coupled-cluster study of 16O.

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

Nuclear Structure Calculations with Coupled Cluster Methods from Quantum Chemistry

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

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.

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 .

Mind the correct basis set: A case study for predicting gas phase acidities of small compounds using calculations from first principles

M. Włoch, Nina Tymińska, A. T. Royappa, 2015 .

Coupled-cluster theory for excited electronic states: The full equation-of-motion coupled-cluster single, double, and triple excitation method

Rodney J. Bartlett, Monika Musiał, R. Bartlett, 2001 .

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 .

Coupled-Cluster Theory for Three-Body Hamiltonians

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

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 heavy nuclei.

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

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

P. Surján, P. Piecuch, K. Kowalski, 2005, 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.

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 .

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.

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.

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.

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

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

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.