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Jeffrey R. Gour, Ph.D. - Publications

Affiliations: 
2010 Michigan State University, East Lansing, MI 
Area:
coupled-cluster theory
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35 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2020 Barca GMJ, Bertoni C, Carrington L, Datta D, De Silva N, Deustua JE, Fedorov DG, Gour JR, Gunina AO, Guidez E, Harville T, Irle S, Ivanic J, Kowalski K, Leang SS, et al. Recent developments in the general atomic and molecular electronic structure system. The Journal of Chemical Physics. 152: 154102. PMID 32321259 DOI: 10.1063/5.0005188  0.742
2012 Ehara M, Piecuch P, Lutz JJ, Gour JR. Symmetry-adapted-cluster configuration-interaction and equation-of-motion coupled-cluster studies of electronically excited states of copper tetrachloride and copper tetrabromide dianions Chemical Physics. 399: 94-110. DOI: 10.1016/J.Chemphys.2011.09.022  0.777
2011 Hansen JA, Piecuch P, Lutz JJ, Gour JR. 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 Physica Scripta. 84. DOI: 10.1088/0031-8949/84/02/028110  0.776
2010 Gour JR, Piecuch P, Woch M. Comparison of the completely renormalized equation-of-motion coupled-cluster and Quantum Monte Carlo results for the low-lying electronic states of methylene Molecular Physics. 108: 2633-2646. DOI: 10.1080/00268976.2010.518573  0.637
2009 Li W, Piecuch P, Gour JR, Li S. Local correlation calculations using standard and renormalized coupled-cluster approaches. The Journal of Chemical Physics. 131: 114109. PMID 19778102 DOI: 10.1063/1.3218842  0.726
2009 Zhao Y, Tishchenko O, Gour JR, Li W, Lutz JJ, Piecuch P, Truhlar DG. Thermochemical kinetics for multireference systems: addition reactions of ozone. The Journal of Physical Chemistry. A. 113: 5786-99. PMID 19374412 DOI: 10.1021/Jp811054N  0.755
2009 Roth R, Gour JR, Piecuch P. Ab initio coupled-cluster and configuration interaction calculations for O16 using the VUCOM interaction Physical Review C - Nuclear Physics. 79. DOI: 10.1103/Physrevc.79.054325  0.699
2009 Ehara M, Gour JR, Piecuch P. 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 Molecular Physics. 107: 871-880. DOI: 10.1080/00268970802672668  0.711
2009 Li W, Piecuch P, Gour JR. Local correlation calculations using standard and renormalized coupled-cluster methods Aip Conference Proceedings. 1102: 68-113. DOI: 10.1063/1.3108393  0.671
2009 Roth R, Gour JR, Piecuch P. Center-of-mass problem in truncated configuration interaction and coupled-cluster calculations Physics Letters, Section B: Nuclear, Elementary Particle and High-Energy Physics. 679: 334-339. DOI: 10.1016/J.Physletb.2009.07.071  0.659
2009 Piecuch P, Gour JR, Wloch M. 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 International Journal of Quantum Chemistry. 109: 3268-3304. DOI: 10.1002/Qua.22367  0.69
2008 Ge Y, Gordon MS, Piecuch P, W?och M, Gour JR. Breaking bonds of open-shell species with the restricted open-shell size extensive left eigenstate completely renormalized coupled-cluster method. The Journal of Physical Chemistry. A. 112: 11873-84. PMID 18959387 DOI: 10.1021/Jp806029Z  0.709
2008 Gour JR, Horoi M, Piecuch P, Brown BA. Coupled-cluster and configuration-interaction calculations for odd-A heavy nuclei. Physical Review Letters. 101: 052501. PMID 18764385 DOI: 10.1103/Physrevlett.101.052501  0.687
2008 Cramer CJ, Gour JR, Kinal A, WÅ‚och M, Piecuch P, Shahi AR, Gagliardi L. Stereoelectronic effects on molecular geometries and state-energy splittings of ligated monocopper dioxygen complexes. The Journal of Physical Chemistry. A. 112: 3754-67. PMID 18341313 DOI: 10.1021/Jp800627E  0.616
2008 Zheng J, Gour JR, Lutz JJ, W?och M, Piecuch P, Truhlar DG. 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. The Journal of Chemical Physics. 128: 044108. PMID 18247931 DOI: 10.1063/1.2825596  0.788
2008 Li X, Gour JR, Paldus J, Piecuch P. On the significance of quadruply excited clusters in coupled-cluster calculations for the low-lying states of BN and C2 Chemical Physics Letters. 461: 321-326. DOI: 10.1016/J.Cplett.2008.07.004  0.734
2008 Piecuch P, Gour JR, W?och M. Biorthogonal method of moments of coupled-cluster equations: Alternative derivation, further considerations, and application to a model magnetic system International Journal of Quantum Chemistry. 108: 2128-2149. DOI: 10.1002/Qua.21745  0.705
2007 W?och M, Gour JR, Piecuch P. Extension of the renormalized coupled-cluster methods exploiting left eigenstates of the similarity-transformed hamiltonian to open-shell systems: a benchmark study. The Journal of Physical Chemistry. A. 111: 11359-82. PMID 17973457 DOI: 10.1021/Jp072535L  0.686
2007 Horoi M, Gour JR, W?och M, Lodriguito MD, Brown BA, Piecuch P. Coupled-cluster and configuration-interaction calculations for heavy nuclei. Physical Review Letters. 98: 112501. PMID 17501045 DOI: 10.1103/Physrevlett.98.112501  0.777
2007 Ohtsuka Y, Piecuch P, Gour JR, Ehara M, Nakatsuji H. Active-space symmetry-adapted-cluster configuration-interaction and equation-of-motion coupled-cluster methods for high accuracy calculations of potential energy surfaces of radicals. The Journal of Chemical Physics. 126: 164111. PMID 17477593 DOI: 10.1063/1.2723121  0.68
2006 Gour JR, Piecuch P. Efficient formulation and computer implementation of the active-space electron-attached and ionized equation-of-motion coupled-cluster methods. The Journal of Chemical Physics. 125: 234107. PMID 17190547 DOI: 10.1063/1.2409289  0.681
2006 Papenbrock T, Dean DJ, Gour JR, Hagen G, Hjorth-Jensen M, Piecuch P, W?och M. Coupled-cluster theory for nuclei International Journal of Modern Physics B. 20: 5338-5345. DOI: 10.1142/S0217979206036454  0.7
2006 Gour JR, Piecuch P, Hjorth-Jensen M, W?och M, Dean DJ. Coupled-cluster calculations for valence systems around O16 Physical Review C - Nuclear Physics. 74. DOI: 10.1103/Physrevc.74.024310  0.665
2006 ?och MW, Lodriguito MD, Piecuch P, Gour JR. Two new classes of non-iterative coupled-cluster methods derived from the method of moments of coupled-cluster equations Molecular Physics. 104: 2149-2172. DOI: 10.1080/00268970600659586  0.798
2006 Piecuch P, W?och M, Gour JR, Kinal A. Single-reference, size-extensive, non-iterative coupled-cluster approaches to bond breaking and biradicals Chemical Physics Letters. 418: 467-474. DOI: 10.1016/J.Cplett.2005.10.116  0.697
2006 Gour JR, Piecuch P, W?och M. Extension of the active-space equation-of-motion coupled-cluster methods to radical systems: The EA-EOMCCSDt and IP-EOMCCSDt approaches International Journal of Quantum Chemistry. 106: 2854-2874. DOI: 10.1002/Qua.21112  0.729
2005 Gour JR, Piecuch P, W?och M. Active-space equation-of-motion coupled-cluster methods for excited states of radicals and other open-shell systems: EA-EOMCCSDt and IP-EOMCCSDt. The Journal of Chemical Physics. 123: 134113. PMID 16223281 DOI: 10.1063/1.2042452  0.704
2005 W?och M, Dean DJ, Gour JR, Hjorth-Jensen M, Kowalski K, Papenbrock T, Piecuch P. Ab-initio coupled-cluster study of 16O. Physical Review Letters. 94: 212501. PMID 16090314 DOI: 10.1103/Physrevlett.94.212501  0.776
2005 W?och M, Gour JR, Kowalski K, Piecuch P. Extension of renormalized coupled-cluster methods including triple excitations to excited electronic states of open-shell molecules. The Journal of Chemical Physics. 122: 214107. PMID 15974728 DOI: 10.1063/1.1924596  0.771
2005 W?och M, Dean DJ, Gour JR, Piecuch P, Hjorth-Jensen M, Papenbrock T, Kowalski K. Ab initio coupled cluster calculations for nuclei using methods of quantum chemistry European Physical Journal A. 25: 485-488. DOI: 10.1140/Epjad/I2005-06-062-8  0.767
2005 W?och M, Dean DJ, Gour JR, Hjorth-Jensen M, Kowalski K, Papenbrock T, Piecuch P. Ab-initio coupled-cluster study of O16 Physical Review Letters. 94. DOI: 10.1103/PhysRevLett.94.212501  0.713
2005 W?och M, Gour JR, Piecuch P, Dean DJ, Hjorth-Jensen M, Papenbrock T. Coupled-cluster calculations for ground and excited states of closed- and open-shell nuclei using methods of quantum chemistry Journal of Physics G: Nuclear and Particle Physics. 31: S1291-S1299. DOI: 10.1088/0954-3899/31/8/007  0.686
2005 Piecuch P, W?och M, Gour JR, Dean DJ, Hjorth-Jensen M, Papenbrock T. Bridging quantum chemistry and nuclear structure theory: Coupled-cluster calculations for closed- and open-shell nuclei Aip Conference Proceedings. 777: 28-45. DOI: 10.1063/1.1996870  0.629
2005 Dean DJ, Gour JR, Hagen G, Hjorth-Jensen M, Kowalski K, Papenbrock T, Piecuch P, W?och M. Nuclear structure calculations with coupled cluster methods from quantum chemistry Nuclear Physics A. 752: 299c-308c. DOI: 10.1016/J.Nuclphysa.2005.02.041  0.775
2005 Piecuch P, Wloch M, Gour JR, Kowalski K, Kinal A, Lodriguito M, McGuire MJ. Noniterative coupled-cluster methods for bond breaking, diradicals, and excited electronic states Acs National Meeting Book of Abstracts. 230.  0.783
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