Configuration-Driven Unitary Group Approach for Generalized Van Vleck Variant Multireference Perturbation Theory†

Wanyi Jiang; Yuriy G. Khait; Mark R. Hoffmann

doi:10.1021/jp811082p

Configuration-Driven Unitary Group Approach for Generalized Van Vleck Variant Multireference Perturbation Theory†

The Journal of Physical Chemistry A ◽

10.1021/jp811082p ◽

2009 ◽

Vol 113 (16) ◽

pp. 4374-4380 ◽

Cited By ~ 39

Author(s):

Wanyi Jiang ◽

Yuriy G. Khait ◽

Mark R. Hoffmann

Keyword(s):

Perturbation Theory ◽

Unitary Group ◽

Group Approach ◽

Multireference Perturbation Theory ◽

Unitary Group Approach ◽

Van Vleck

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Unitary Group Approach to Configuration Interaction Calculations of the Electronic Structure of Atoms and Molecules

Mathematical Frontiers in Computational Chemical Physics - The IMA Volumes in Mathematics and Its Applications ◽

10.1007/978-1-4684-6363-7_11 ◽

1988 ◽

pp. 300-349 ◽

Cited By ~ 37

Author(s):

Isaiah Shavitt

Keyword(s):

Electronic Structure ◽

Configuration Interaction ◽

Unitary Group ◽

Group Approach ◽

Atoms And Molecules ◽

Unitary Group Approach ◽

Configuration Interaction Calculations

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The unitary group approach in Configuration Interaction (CI) methods

Computer Physics Reports ◽

10.1016/0167-7977(84)90007-8 ◽

1984 ◽

Vol 1 (3-4) ◽

pp. 127-236 ◽

Cited By ~ 53

Author(s):

Michael A. Robb ◽

Ufuk Niazi

Keyword(s):

Configuration Interaction ◽

Unitary Group ◽

Group Approach ◽

Unitary Group Approach

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Unitary Group Approach to the Many-Electron Correlation Problem

Electrons in Finite and Infinite Structures ◽

10.1007/978-1-4684-2811-7_8 ◽

1977 ◽

pp. 411-429 ◽

Cited By ~ 18

Author(s):

J. Paldus

Keyword(s):

Electron Correlation ◽

Unitary Group ◽

Group Approach ◽

Unitary Group Approach ◽

Correlation Problem ◽

The Many

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Loop-driven graphical unitary group approach to the electron correlation problem, including configuration interaction energy gradients

10.2172/5703893 ◽

1979 ◽

Author(s):

B.R. Brooks

Keyword(s):

Interaction Energy ◽

Configuration Interaction ◽

Electron Correlation ◽

Unitary Group ◽

Group Approach ◽

Unitary Group Approach ◽

Correlation Problem ◽

Graphical Unitary Group Approach

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Time-Dependent Configuration Interaction Using the Graphical Unitary Group Approach: Nonlinear Electric Properties

Novel Electronic Structure Theory: General Innovations and Strongly Correlated Systems - Advances in Quantum Chemistry ◽

10.1016/bs.aiq.2017.06.003 ◽

2018 ◽

pp. 295-313 ◽

Cited By ~ 8

Author(s):

Patrick J. Lestrange ◽

Mark R. Hoffmann ◽

Xiaosong Li

Keyword(s):

Configuration Interaction ◽

Unitary Group ◽

Electric Properties ◽

Time Dependent ◽

Group Approach ◽

Unitary Group Approach ◽

Graphical Unitary Group Approach

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Unitary group approach to molecular electronic structure

Group Theoretical Methods in Physics - Lecture Notes in Physics ◽

10.1007/3-540-09238-2_15 ◽

2008 ◽

pp. 51-65 ◽

Cited By ~ 4

Author(s):

Josef Paldus

Keyword(s):

Electronic Structure ◽

Unitary Group ◽

Molecular Electronic ◽

Group Approach ◽

Unitary Group Approach ◽

Molecular Electronic Structure

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Review of Vector Coupling Methods in the Unitary Group Approach to Many-Electron Problems

Lecture Notes in Chemistry - The Unitary Group for the Evaluation of Electronic Energy Matrix Elements ◽

10.1007/978-3-642-93163-5_10 ◽

1981 ◽

pp. 243-259 ◽

Cited By ~ 1

Author(s):

G. W. F. Drake

Keyword(s):

Unitary Group ◽

Group Approach ◽

Vector Coupling ◽

Unitary Group Approach ◽

Coupling Methods

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Unitary group approach to the treatment of mixed-orbital configurations

Physical Review A ◽

10.1103/physreva.23.979 ◽

1981 ◽

Vol 23 (3) ◽

pp. 979-990 ◽

Cited By ~ 19

Author(s):

R. D. Kent ◽

M. Schlesinger

Keyword(s):

Unitary Group ◽

Group Approach ◽

Unitary Group Approach

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Molecular gradients for the second-order generalized Van Vleck variant of multireference perturbation theory

The Journal of Chemical Physics ◽

10.1063/1.1579467 ◽

2003 ◽

Vol 119 (2) ◽

pp. 651-660 ◽

Cited By ~ 22

Author(s):

Timothy J. Dudley ◽

Yuriy G. Khait ◽

Mark R. Hoffmann

Keyword(s):

Perturbation Theory ◽

Second Order ◽

Multireference Perturbation Theory ◽

Van Vleck

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Explicit formulae for spin-dependent matrix elements in the unitary group approach

Chemical Physics Letters ◽

10.1016/0009-2614(94)01132-x ◽

1994 ◽

Vol 230 (1-2) ◽

pp. 41-46 ◽

Cited By ~ 6

Author(s):

Zhenyi Wen ◽

Yubin Wang ◽

Hailun Lin

Keyword(s):

Unitary Group ◽

Matrix Elements ◽

Group Approach ◽

Unitary Group Approach ◽

Explicit Formulae

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