Generalized Pauli conditions on the spectra of one-electron reduced density matrices of atoms and molecules

Physical Review A ◽

10.1103/physreva.89.042505 ◽

2014 ◽

Vol 89 (4) ◽

Author(s):

Romit Chakraborty ◽

David A. Mazziotti

Keyword(s):

Density Matrices ◽

Reduced Density Matrices ◽

Atoms And Molecules ◽

Reduced Density

Download Full-text

First-order semidefinite programming for the direct determination of two-electron reduced density matrices with application to many-electron atoms and molecules

The Journal of Chemical Physics ◽

10.1063/1.1810134 ◽

2004 ◽

Vol 121 (22) ◽

pp. 10957 ◽

Author(s):

David A. Mazziotti

Keyword(s):

Semidefinite Programming ◽

Direct Determination ◽

Density Matrices ◽

Reduced Density Matrices ◽

Atoms And Molecules ◽

First Order ◽

Reduced Density

Download Full-text

Reduced Density Matrices of Atoms and Molecules. I. The 2 Matrix of Double‐Occupancy, Configuration‐Interaction Wavefunctions for Singlet States

The Journal of Chemical Physics ◽

10.1063/1.1841109 ◽

1967 ◽

Vol 46 (7) ◽

pp. 2752-2758 ◽

Author(s):

Frank Weinhold ◽

E. Bright Wilson

Keyword(s):

Configuration Interaction ◽

Density Matrices ◽

Reduced Density Matrices ◽

Double Occupancy ◽

Atoms And Molecules ◽

Singlet States ◽

Reduced Density

Download Full-text

Reduced Density Matrices of Atoms and Molecules. II. On the N‐Representability Problem

The Journal of Chemical Physics ◽

10.1063/1.1703311 ◽

1967 ◽

Vol 47 (7) ◽

pp. 2298-2311 ◽

Author(s):

Frank Weinhold ◽

E. Bright Wilson

Keyword(s):

Density Matrices ◽

Reduced Density Matrices ◽

Atoms And Molecules ◽

Reduced Density

Download Full-text

Rank restriction for the variational calculation of two-electron reduced density matrices of many-electron atoms and molecules

Physical Review A ◽

10.1103/physreva.84.052506 ◽

2011 ◽

Vol 84 (5) ◽

Author(s):

Kasra Naftchi-Ardebili ◽

Nathania W. Hau ◽

David A. Mazziotti

Keyword(s):

Variational Calculation ◽

Density Matrices ◽

Reduced Density Matrices ◽

Atoms And Molecules ◽

Reduced Density

Download Full-text

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

Download Full-text

Reduced Density Matrices

10.1007/978-3-642-58304-9 ◽

2000 ◽

Author(s):

A. John Coleman ◽

Vyacheslav I. Yukalov

Keyword(s):

Density Matrices ◽

Reduced Density Matrices ◽

Reduced Density

Download Full-text

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

Download Full-text

Examining conductance values in the biphenyl molecular switch with reduced density matrices

International Journal of Quantum Chemistry ◽

10.1002/qua.26633 ◽

2021 ◽

Author(s):

Don X. Bones ◽

Justin T. Malme ◽

Erik P. Hoy

Keyword(s):

Molecular Switch ◽

Density Matrices ◽

Reduced Density Matrices ◽

Reduced Density

Download Full-text

Reduced Density Matrices of Quantum Gases. I. Limit of Infinite Volume

Journal of Mathematical Physics ◽

10.1063/1.1704275 ◽

1965 ◽

Vol 6 (2) ◽

pp. 238-251 ◽

Author(s):

Jean Ginibre

Keyword(s):

Quantum Gases ◽

Infinite Volume ◽

Density Matrices ◽

Reduced Density Matrices ◽

Reduced Density

Download Full-text

n‐Representability Problem for Reduced Density Matrices

Journal of Mathematical Physics ◽

10.1063/1.1705122 ◽

1967 ◽

Vol 8 (10) ◽

pp. 2063-2081 ◽

Author(s):

Hans Kummer

Keyword(s):

Density Matrices ◽

Reduced Density Matrices ◽

Reduced Density

Download Full-text