Cluster many-body expansion: A many-body expansion of the electron correlation energy about a cluster mean field reference

Vibin Abraham; Nicholas J. Mayhall

doi:10.1063/5.0057752

Cluster many-body expansion: A many-body expansion of the electron correlation energy about a cluster mean field reference

The Journal of Chemical Physics ◽

10.1063/5.0057752 ◽

2021 ◽

Vol 155 (5) ◽

pp. 054101

Author(s):

Vibin Abraham ◽

Nicholas J. Mayhall

Keyword(s):

Electron Correlation ◽

Correlation Energy ◽

Mean Field ◽

Many Body ◽

Electron Correlation Energy

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Contribution of triple substitutions to the electron correlation energy in fourth order perturbation theory

The Journal of Chemical Physics ◽

10.1063/1.439657 ◽

1980 ◽

Vol 72 (7) ◽

pp. 4244-4245 ◽

Cited By ~ 945

Author(s):

R. Krishnan ◽

M. J. Frisch ◽

J. A. Pople

Keyword(s):

Perturbation Theory ◽

Fourth Order ◽

Electron Correlation ◽

Correlation Energy ◽

Order Perturbation ◽

Order Perturbation Theory ◽

Electron Correlation Energy

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Understanding electron correlation energy through density functional theory

Computational and Theoretical Chemistry ◽

10.1016/j.comptc.2019.112669 ◽

2020 ◽

Vol 1172 ◽

pp. 112669 ◽

Cited By ~ 2

Author(s):

Teepanis Chachiyo ◽

Hathaithip Chachiyo

Keyword(s):

Density Functional Theory ◽

Electron Correlation ◽

Density Functional ◽

Correlation Energy ◽

Functional Theory ◽

Electron Correlation Energy

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Simple estimation of electron correlation energy for multi-atomic strong ionic com- pounds KX and (KX)2 (X = OH, NC)

Science in China Series B Chemistry ◽

10.1360/02yb9031 ◽

2002 ◽

Vol 45 (3) ◽

pp. 232 ◽

Cited By ~ 5

Author(s):

Shuping ZHUO

Keyword(s):

Electron Correlation ◽

Correlation Energy ◽

Electron Correlation Energy ◽

Simple Estimation

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Calculation of the π-electron correlation energy of butadiene using the extended separated pair theory

Chemical Physics Letters ◽

10.1016/0009-2614(69)80015-1 ◽

1969 ◽

Vol 3 (1) ◽

pp. 43-44 ◽

Cited By ~ 11

Author(s):

E. Kapuy

Keyword(s):

Electron Correlation ◽

Correlation Energy ◽

Electron Correlation Energy

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Additivity of electron correlation energy and the ab initio MO calculation of (0–0) S1←S0 transition energies: polychlorinated dibenzofurans

Journal of Molecular Structure THEOCHEM ◽

10.1016/j.theochem.2004.08.003 ◽

2004 ◽

Vol 710 (1-3) ◽

pp. 19-23 ◽

Cited By ~ 4

Author(s):

Tomoko Imasaka ◽

Shoji Hirokawa

Keyword(s):

Ab Initio ◽

Electron Correlation ◽

Correlation Energy ◽

Polychlorinated Dibenzofurans ◽

Transition Energies ◽

Mo Calculation ◽

Electron Correlation Energy ◽

Ab Initio Mo

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Evidence for a negative electron‐electron correlation energy in the dominant deep trapping center in silicon nitride films

Applied Physics Letters ◽

10.1063/1.102514 ◽

1990 ◽

Vol 56 (14) ◽

pp. 1359-1361 ◽

Cited By ~ 49

Author(s):

Sean E. Curry ◽

P. M. Lenahan ◽

D. T. Krick ◽

J. Kanicki ◽

C. T. Kirk

Keyword(s):

Silicon Nitride ◽

Electron Correlation ◽

Correlation Energy ◽

Trapping Center ◽

Silicon Nitride Films ◽

Electron Correlation Energy

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Approximate fourth-order perturbation theory of the electron correlation energy

International Journal of Quantum Chemistry ◽

10.1002/qua.560140109 ◽

1978 ◽

Vol 14 (1) ◽

pp. 91-100 ◽

Cited By ~ 953

Author(s):

R. Krishnan ◽

J. A. Pople

Keyword(s):

Perturbation Theory ◽

Fourth Order ◽

Electron Correlation ◽

Correlation Energy ◽

Order Perturbation ◽

Order Perturbation Theory ◽

Electron Correlation Energy

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Role of the changing sign of effective electron-electron correlation energy for information recording in PCM

physica status solidi (b) ◽

10.1002/pssb.201451613 ◽

2015 ◽

Vol 252 (6) ◽

pp. 1339-1344

Author(s):

Nikita Bogoslovskiy ◽

Konstantin Tsendin

Keyword(s):

Electron Correlation ◽

Correlation Energy ◽

Effective Electron ◽

Information Recording ◽

Electron Correlation Energy

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Two new unitary-invariant and size-consistent perturbation theoretical approaches to the electron correlation energy

Chemical Physics Letters ◽

10.1016/j.cplett.2006.07.081 ◽

2006 ◽

Vol 428 (4-6) ◽

pp. 461-466 ◽

Cited By ~ 28

Author(s):

Reinhold F. Fink

Keyword(s):

Electron Correlation ◽

Correlation Energy ◽

Theoretical Approaches ◽

Electron Correlation Energy

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Systematic construction of basis subsets of higher angular momentum functions in electron correlation energy calculations

Journal of Physics B Atomic Molecular and Optical Physics ◽

10.1088/0953-4075/32/22/315 ◽

1999 ◽

Vol 32 (22) ◽

pp. 5379-5395 ◽

Cited By ~ 12

Author(s):

D Moncrieff ◽

S Wilson

Keyword(s):

Angular Momentum ◽

Electron Correlation ◽

Correlation Energy ◽

Energy Calculations ◽

Systematic Construction ◽

Electron Correlation Energy

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