On the measure of electron correlation and entanglement in quantum chemistry based on the cumulant of the second-order reduced density matrix

D. R. Alcoba; R. C. Bochicchio; L. Lain; A. Torre

doi:10.1063/1.3503766

On the measure of electron correlation and entanglement in quantum chemistry based on the cumulant of the second-order reduced density matrix

The Journal of Chemical Physics ◽

10.1063/1.3503766 ◽

2010 ◽

Vol 133 (14) ◽

pp. 144104 ◽

Cited By ~ 22

Author(s):

D. R. Alcoba ◽

R. C. Bochicchio ◽

L. Lain ◽

A. Torre

Keyword(s):

Quantum Chemistry ◽

Density Matrix ◽

Electron Correlation ◽

Second Order ◽

Reduced Density Matrix ◽

Reduced Density

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The cumulant two-particle reduced density matrix as a measure of electron correlation and entanglement

The Journal of Chemical Physics ◽

10.1063/1.2378768 ◽

2006 ◽

Vol 125 (17) ◽

pp. 174105 ◽

Cited By ~ 57

Author(s):

Tamás Juhász ◽

David A. Mazziotti

Keyword(s):

Density Matrix ◽

Electron Correlation ◽

Reduced Density Matrix ◽

Reduced Density

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Exploiting the spatial locality of electron correlation within the parametric two-electron reduced-density-matrix method

The Journal of Chemical Physics ◽

10.1063/1.3283052 ◽

2010 ◽

Vol 132 (3) ◽

pp. 034110 ◽

Cited By ~ 16

Author(s):

A. Eugene DePrince ◽

David A. Mazziotti

Keyword(s):

Density Matrix ◽

Electron Correlation ◽

Matrix Method ◽

Reduced Density Matrix ◽

Spatial Locality ◽

Reduced Density

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INEQUALITIES RELATING THE ELEMENTS OF THE SECOND-ORDER REDUCED DENSITY MATRIX

Recent Advances in the Theory of Chemical and Physical Systems - Progress in Theoretical Chemistry and Physics ◽

10.1007/1-4020-4528-x_6 ◽

2006 ◽

pp. 151-157

Author(s):

G. DEZSŐ ◽

I. BÁLINT ◽

I. GYÉMÁNT

Keyword(s):

Density Matrix ◽

Second Order ◽

Reduced Density Matrix ◽

Reduced Density

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Two-Electron Reduced Density Matrix as the Basic Variable in Many-Electron Quantum Chemistry and Physics

Chemical Reviews ◽

10.1021/cr2000493 ◽

2011 ◽

Vol 112 (1) ◽

pp. 244-262 ◽

Cited By ~ 106

Author(s):

David A. Mazziotti

Keyword(s):

Quantum Chemistry ◽

Density Matrix ◽

Reduced Density Matrix ◽

Basic Variable ◽

Electron Quantum ◽

Reduced Density

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Generalized density-functional theory: Conquering theN-representability problem with exact functionals for the electron pair density and the second-order reduced density matrix

Journal of Chemical Sciences ◽

10.1007/bf02708356 ◽

2005 ◽

Vol 117 (5) ◽

pp. 507-514 ◽

Cited By ~ 70

Author(s):

Paul W. Ayers ◽

Mel Levy

Keyword(s):

Density Functional Theory ◽

Density Matrix ◽

Density Functional ◽

Electron Pair ◽

Second Order ◽

Reduced Density Matrix ◽

Functional Theory ◽

Pair Density ◽

Reduced Density ◽

Electron Pair Density

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The Second Order Reduced Density Matrix and the Chemical Bond

Local Density Approximations in Quantum Chemistry and Solid State Physics ◽

10.1007/978-1-4899-2142-0_17 ◽

1984 ◽

pp. 303-321

Author(s):

William L. Luken ◽

John C. Culberson

Keyword(s):

Density Matrix ◽

Chemical Bond ◽

Second Order ◽

Reduced Density Matrix ◽

Reduced Density

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Incorporating dynamic correlation into the variational determination method of the second‐order reduced density matrix in the doubly occupied configuration interaction space

International Journal of Quantum Chemistry ◽

10.1002/qua.26256 ◽

2020 ◽

Vol 120 (15) ◽

Cited By ~ 3

Author(s):

Diego R. Alcoba ◽

Alicia Torre ◽

Luis Lain ◽

Ofelia B. Oña ◽

Elías Ríos ◽

...

Keyword(s):

Density Matrix ◽

Configuration Interaction ◽

Interaction Space ◽

Second Order ◽

Reduced Density Matrix ◽

Determination Method ◽

Dynamic Correlation ◽

Reduced Density

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Density Functional Approach for Calculating the Diagonal Elements of the Second-Order Reduced Density Matrix: Restrictive Conditions on the Kinetic Energy Functional

Journal of the Physical Society of Japan ◽

10.1143/jpsjs.80sa.sa122 ◽

2011 ◽

Vol 80 (Suppl.A) ◽

pp. SA122

Author(s):

Masahiko Higuchi ◽

Katsuhiko Higuchi

Keyword(s):

Kinetic Energy ◽

Density Matrix ◽

Density Functional ◽

Energy Functional ◽

Functional Approach ◽

Second Order ◽

Reduced Density Matrix ◽

Kinetic Energy Functional ◽

Reduced Density

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Evaluation of the second-order reduced density matrix for correlated electronic wave functions

International Journal of Quantum Chemistry ◽

10.1002/qua.560220504 ◽

1982 ◽

Vol 22 (5) ◽

pp. 889-902 ◽

Cited By ~ 17

Author(s):

William L. Luken

Keyword(s):

Density Matrix ◽

Second Order ◽

Wave Functions ◽

Reduced Density Matrix ◽

Electronic Wave ◽

Electronic Wave Functions ◽

Reduced Density

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Improving the second order reduced density matrix within the spin-adapted reduced hamiltonian theory. An application to the BeH2 potential curve

Journal of Molecular Structure THEOCHEM ◽

10.1016/0166-1280(95)04211-n ◽

1995 ◽

Vol 341 (1-3) ◽

pp. 33-40

Author(s):

C. Valdemoro ◽

R. Bochicchio ◽

M.P. de Lara ◽

L.M. Tel

Keyword(s):

Density Matrix ◽

Second Order ◽

Potential Curve ◽

Reduced Density Matrix ◽

Hamiltonian Theory ◽

Reduced Density

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