A novel approach for calculating correlation energy based on the two-electron density matrix formalism

2001 ◽  
Vol 84 (1) ◽  
pp. 32-38 ◽  
Author(s):  
Imre Bálint ◽  
Gergely Dezső ◽  
Iván Gyémánt
Keyword(s):  
Density Matrix ◽  
Electron Density ◽  
Correlation Energy ◽  
Matrix Formalism ◽  
Electron Density Matrix ◽  
Novel Approach ◽  
Density Matrix Formalism

Direct minimization of the energy functional in LCAO-MO density matrix formalism

1976 ◽  
Vol 41 (4) ◽  
pp. 311-319 ◽  
Author(s):  
Piercarlo Fantucci ◽  
Stefano Polezzo ◽  
Maria Paola Stabilini
Keyword(s):  
Density Matrix ◽  
Energy Functional ◽  
Matrix Formalism ◽  
Density Matrix Formalism ◽  
Direct Minimization ◽  
Lcao Mo

Stockholder projector analysis: A Hilbert-space partitioning of the molecular one-electron density matrix with orthogonal projectors

2012 ◽  
Vol 136 (1) ◽  
pp. 014107 ◽  
Author(s):  
Diederik Vanfleteren ◽  
Dimitri Van Neck ◽  
Patrick Bultinck ◽  
Paul W. Ayers ◽  
Michel Waroquier
Keyword(s):  
Hilbert Space ◽  
Density Matrix ◽  
Electron Density ◽  
Space Partitioning ◽  
Electron Density Matrix ◽  
Orthogonal Projectors
Sign in / Sign up

Export Citation Format

Share Document