Nonorthogonal orbital based N-body reduced density matrices and their applications to valence bond theory. IV. The automatic implementation of the Hessian based VBSCF method

Xun Chen; Zhenhua Chen; Wei Wu

doi:10.1063/1.4901729

Nonorthogonal orbital based N-body reduced density matrices and their applications to valence bond theory. IV. The automatic implementation of the Hessian based VBSCF method

The Journal of Chemical Physics ◽

10.1063/1.4901729 ◽

2014 ◽

Vol 141 (19) ◽

pp. 194113 ◽

Cited By ~ 12

Author(s):

Xun Chen ◽

Zhenhua Chen ◽

Wei Wu

Keyword(s):

Valence Bond ◽

Density Matrices ◽

Reduced Density Matrices ◽

Valence Bond Theory ◽

Bond Theory ◽

Reduced Density

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Nonorthogonal orbital basedN-body reduced density matrices and their applications to valence bond theory. I. Hamiltonian matrix elements between internally contracted excited valence bond wave functions

The Journal of Chemical Physics ◽

10.1063/1.4801631 ◽

2013 ◽

Vol 138 (16) ◽

pp. 164119 ◽

Cited By ~ 23

Author(s):

Zhenhua Chen ◽

Xun Chen ◽

Wei Wu

Keyword(s):

Valence Bond ◽

Wave Functions ◽

Hamiltonian Matrix ◽

Matrix Elements ◽

Density Matrices ◽

Reduced Density Matrices ◽

Valence Bond Theory ◽

Bond Theory ◽

Reduced Density

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Nonorthogonal orbital based N-body reduced density matrices and their applications to valence bond theory. II. An efficient algorithm for matrix elements and analytical energy gradients in VBSCF method

The Journal of Chemical Physics ◽

10.1063/1.4801632 ◽

2013 ◽

Vol 138 (16) ◽

pp. 164120 ◽

Cited By ~ 35

Author(s):

Zhenhua Chen ◽

Xun Chen ◽

Wei Wu

Keyword(s):

Efficient Algorithm ◽

Valence Bond ◽

Matrix Elements ◽

Density Matrices ◽

Reduced Density Matrices ◽

Valence Bond Theory ◽

Bond Theory ◽

Reduced Density

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Nonorthogonal orbital based n-body reduced density matrices and their applications to valence bond theory. III. Second-order perturbation theory using valence bond self-consistent field function as reference

The Journal of Chemical Physics ◽

10.1063/1.4896534 ◽

2014 ◽

Vol 141 (13) ◽

pp. 134118 ◽

Cited By ~ 20

Author(s):

Zhenhua Chen ◽

Xun Chen ◽

Fuming Ying ◽

Junjing Gu ◽

Huaiyu Zhang ◽

...

Keyword(s):

Valence Bond ◽

Density Matrices ◽

Field Function ◽

Valence Bond Theory ◽

Consistent Field ◽

Self Consistent ◽

Self Consistent Field ◽

Bond Theory ◽

Reduced Density ◽

Second Order Perturbation Theory

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Reduced Density Matrices for Valence Bond Wavefunctions. III. Density Matrices for the 4×4 Square Planar Net

The Journal of Chemical Physics ◽

10.1063/1.1677955 ◽

1972 ◽

Vol 57 (1) ◽

pp. 252-270 ◽

Cited By ~ 11

Author(s):

Jong H. Choi ◽

Walter R. Thorson

Keyword(s):

Valence Bond ◽

Density Matrices ◽

Reduced Density Matrices ◽

Square Planar ◽

Reduced Density

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Reduced Density Matrices for Valence Bond Wavefunctions. II. Symmetry and Reduction Procedures for Square Planar Nets

The Journal of Chemical Physics ◽

10.1063/1.1677954 ◽

1972 ◽

Vol 57 (1) ◽

pp. 238-251 ◽

Cited By ~ 2

Author(s):

Jong H. Choi ◽

Richard P. Messmer ◽

Walter R. Thorson

Keyword(s):

Valence Bond ◽

Density Matrices ◽

Reduced Density Matrices ◽

Square Planar ◽

Reduced Density

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Reduced density matrices for valence-bond wave functions

International Journal of Quantum Chemistry ◽

10.1002/qua.560010654 ◽

2009 ◽

Vol 1 (S1) ◽

pp. 487-510 ◽

Cited By ~ 5

Author(s):

W. R. Thorson ◽

J. H. Choi ◽

R. B. Hake

Keyword(s):

Valence Bond ◽

Wave Functions ◽

Density Matrices ◽

Reduced Density Matrices ◽

Reduced Density

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N-Body Reduced Density Matrix-Based Valence Bond Theory and Its Applications in Diabatic Electronic-Structure Computations

Accounts of Chemical Research ◽

10.1021/acs.accounts.1c00421 ◽

2021 ◽

Author(s):

Zhenhua Chen ◽

Jinshuai Song ◽

Xun Chen ◽

Chen Zhou ◽

Wei Wu

Keyword(s):

Electronic Structure ◽

Density Matrix ◽

Valence Bond ◽

Reduced Density Matrix ◽

Valence Bond Theory ◽

Bond Theory ◽

Reduced Density

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Renormalization of the reduced density matrices for inhomogeneous quantum fluids. II

Bulletin de la Classe des sciences ◽

10.3406/barb.1973.60688 ◽

1973 ◽

Vol 59 (1) ◽

pp. 230-253

Author(s):

Linda E. Reichl

Keyword(s):

Quantum Fluids ◽

Density Matrices ◽

Reduced Density Matrices ◽

Reduced Density ◽

Inhomogeneous Quantum

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Reduced Density Matrices

10.1007/978-3-642-58304-9 ◽

2000 ◽

Cited By ~ 325

Author(s):

A. John Coleman ◽

Vyacheslav I. Yukalov

Keyword(s):

Density Matrices ◽

Reduced Density Matrices ◽

Reduced Density

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An efficient adaptive variational quantum solver of the Schrödinger equation based on reduced density matrices

The Journal of Chemical Physics ◽

10.1063/5.0054822 ◽

2021 ◽

Vol 154 (24) ◽

pp. 244112

Author(s):

Jie Liu ◽

Zhenyu Li ◽

Jinlong Yang

Keyword(s):

Schrödinger Equation ◽

Schrodinger Equation ◽

Density Matrices ◽

Reduced Density Matrices ◽

Reduced Density

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