A method to reduce the number of two electron integral transformations in a second order multiconfigurational Hartree–Fock procedure

Poul Jo/rgensen; Preben Albertsen; Danny L. Yeager

doi:10.1063/1.439147

A method to reduce the number of two electron integral transformations in a second order multiconfigurational Hartree–Fock procedure

The Journal of Chemical Physics ◽

10.1063/1.439147 ◽

1980 ◽

Vol 72 (12) ◽

pp. 6466-6473 ◽

Cited By ~ 15

Author(s):

Poul Jo/rgensen ◽

Preben Albertsen ◽

Danny L. Yeager

Keyword(s):

Second Order ◽

Hartree Fock ◽

Integral Transformations

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Erratum: A method to reduce the number of two electron integral transformations in a second order multiconfigurational Hartree–Fock procedure [J. Chem. Phys. 72, 6466 (1980)]

The Journal of Chemical Physics ◽

10.1063/1.440780 ◽

1980 ◽

Vol 73 (10) ◽

pp. 5408-5408 ◽

Cited By ~ 5

Author(s):

Poul Jo/rgensen ◽

Preben Albertsen ◽

Danny L. Yeager

Keyword(s):

Chem Phys ◽

Second Order ◽

Hartree Fock ◽

Integral Transformations

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Kramers' unrestricted Hartree-Fock and second-order M�ller-Plesset perturbation methods using relativistic effective core potentials with spin-orbit operators: Test calculations for HI and CH3I

International Journal of Quantum Chemistry ◽

10.1002/(sici)1097-461x(1998)66:1<91::aid-qua7>3.0.co;2-v ◽

1998 ◽

Vol 66 (1) ◽

pp. 91-98 ◽

Cited By ~ 11

Author(s):

Yong Suk Kim ◽

Sang Yeon Lee ◽

Won Seok Oh ◽

Bo Hyun Park ◽

Young Kyu Han ◽

...

Keyword(s):

Perturbation Methods ◽

Second Order ◽

Spin Orbit ◽

Hartree Fock ◽

Effective Core Potentials

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Improved convergence of Hartree–Fock style excited-state wavefunctions using second-order optimisation with an exact Hessian

Theoretical Chemistry Accounts ◽

10.1007/s00214-013-1400-6 ◽

2013 ◽

Vol 132 (11) ◽

Cited By ~ 3

Author(s):

Gareth W. Richings ◽

Peter B. Karadakov

Keyword(s):

Excited State ◽

Second Order ◽

Hartree Fock ◽

State Wavefunctions

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Second-Order Perturbation Theory with Spin-Symmetry-Projected Hartree–Fock

Journal of Chemical Theory and Computation ◽

10.1021/acs.jctc.9b00897 ◽

2019 ◽

Vol 15 (12) ◽

pp. 6688-6702 ◽

Cited By ~ 5

Author(s):

Takashi Tsuchimochi ◽

Seiichiro L. Ten-no

Keyword(s):

Perturbation Theory ◽

Spin Symmetry ◽

Second Order ◽

Order Perturbation ◽

Order Perturbation Theory ◽

Hartree Fock ◽

Second Order Perturbation Theory

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Analytical gradients for unrestricted Hartree–Fock and second order Mo/ller–Plesset perturbation theory with single spin annihilation

The Journal of Chemical Physics ◽

10.1063/1.455978 ◽

1989 ◽

Vol 90 (4) ◽

pp. 2363-2369 ◽

Cited By ~ 43

Author(s):

Joseph J. W. McDouall ◽

H. Bernhard Schlegel

Keyword(s):

Perturbation Theory ◽

Second Order ◽

Single Spin ◽

Hartree Fock ◽

Analytical Gradients ◽

Plesset Perturbation Theory

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Property evaluation using the Hartree–Fock‐density‐functional‐theory method: An efficient formalism for first‐ and second‐order properties

The Journal of Chemical Physics ◽

10.1063/1.468272 ◽

1994 ◽

Vol 101 (9) ◽

pp. 7788-7794 ◽

Cited By ~ 11

Author(s):

Hideo Sekino ◽

Nevin Oliphant ◽

Rodney J. Bartlett

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Density Functional Theory Method ◽

Second Order ◽

Theory Method ◽

Functional Theory ◽

Hartree Fock ◽

Property Evaluation

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Energy decomposition based on the extended virial theorem: Hartree-Fock and second-order Møller-Plesset results

International Journal of Quantum Chemistry ◽

10.1002/qua.21960 ◽

2008 ◽

Vol 109 (11) ◽

pp. 2599-2605 ◽

Cited By ~ 3

Author(s):

Gyula Tasi ◽

Dóra Barna

Keyword(s):

Virial Theorem ◽

Second Order ◽

Energy Decomposition ◽

Hartree Fock ◽

Moller Plesset

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Geometric double‐perturbation expansion of the coupled Hartree‐Fock second‐order energy

The Journal of Chemical Physics ◽

10.1063/1.1682559 ◽

1974 ◽

Vol 61 (9) ◽

pp. 3737-3741 ◽

Cited By ~ 12

Author(s):

H. Nakatsuji ◽

J. I. Musher

Keyword(s):

Perturbation Expansion ◽

Second Order ◽

Hartree Fock ◽

Order Energy

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Second-order correlation correction to the coupled Hartree-Fock polarizability of Be

Chemical Physics Letters ◽

10.1016/0009-2614(78)85420-7 ◽

1978 ◽

Vol 53 (2) ◽

pp. 377-381 ◽

Cited By ~ 49

Author(s):

Ludwik Adamoqicz ◽

Andrzej J. Sadlej

Keyword(s):

Second Order ◽

Hartree Fock ◽

Correlation Correction

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Second-order correlation diagrams for hartree-fock functions

Theoretical and Experimental Chemistry ◽

10.1007/bf00525952 ◽

1970 ◽

Vol 4 (1) ◽

pp. 70-72

Author(s):

A. N. Ivanova ◽

U. I. Safronova ◽

V. N. Kharitonova

Keyword(s):

Second Order ◽

Hartree Fock

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