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

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

scholarly journals Unbiased reduced density matrices and electronic properties from full configuration interaction quantum Monte Carlo

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Vol 141 (24) ◽  
pp. 244117 ◽  
Author(s):  
Catherine Overy ◽  
George H. Booth ◽  
N. S. Blunt ◽  
James J. Shepherd ◽  
Deidre Cleland ◽  
...  
Keyword(s):  
Monte Carlo ◽  
Electronic Properties ◽  
Configuration Interaction ◽  
Quantum Monte Carlo ◽  
Density Matrices ◽  
Reduced Density Matrices ◽  
Full Configuration Interaction ◽  
Reduced Density

scholarly journals Multireference configuration interaction and perturbation theory without reduced density matrices

2019 ◽  
Vol 151 (21) ◽  
pp. 211102 ◽  
Author(s):  
Ankit Mahajan ◽  
Nick S. Blunt ◽  
Iliya Sabzevari ◽  
Sandeep Sharma
Keyword(s):  
Perturbation Theory ◽  
Configuration Interaction ◽  
Density Matrices ◽  
Reduced Density Matrices ◽  
Reduced Density

Reduced Density Matrices

2000 ◽  
Author(s):  
A. John Coleman ◽  
Vyacheslav I. Yukalov
Keyword(s):  
Density Matrices ◽  
Reduced Density Matrices ◽  
Reduced Density
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