J. R. Gour

发表

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.

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 .

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

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

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.

Thermochemical kinetics for multireference systems: addition reactions of ozone.

P. Piecuch, D. Truhlar, O. Tishchenko, 2009, 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.

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

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

Ab-initio coupled-cluster study of 16O.

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

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 .

Intermetallic compounds with near Zintl phase behavior: RE2Zn3Ge6 (RE = La, Ce, Pr, Nd) grown from liquid indium.

M. Kanatzidis, S. Mahanti, J. R. Gour, 2005, Inorganic Chemistry.

Intermetallic Compounds with Near Zintl Phase Behavior: Ln2Zn3Ge6 (Ln: La, Ce, Pr, Nd) Grown from Liquid Indium.

M. Kanatzidis, S. Mahanti, J. R. Gour, 2006 .

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 .

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 .

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 .

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.

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.

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.

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 .

NONITERATIVE COUPLED-CLUSTER METHODS FOR EXCITED ELECTRONIC STATES

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

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.

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.

Stabilization of new forms of the intermetallic phases beta-RENiGe2 (RE = Dy, Ho, Er, Tm, Yb, Lu) in liquid indium.

M. Kanatzidis, S. Mahanti, J. R. Gour, 2004, Inorganic chemistry.

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.