Water–water interaction potential: An approximation of the electron correlation contribution by a functional of the SCF density matrix

1984 ◽  
Vol 81 (6) ◽  
pp. 2646-2651 ◽  
Author(s):  
V. Carravetta ◽  
E. Clementi
Keyword(s):  
Density Matrix ◽  
Interaction Potential ◽  
Electron Correlation ◽  
Water Interaction

scholarly journals On the halide hydration study: Development of first-principles halide ion-water interaction potential based on a polarizable model

2003 ◽  
Vol 119 (18) ◽  
pp. 9538-9548 ◽  
Author(s):  
Regla Ayala ◽  
José M. Martı́nez ◽  
Rafael R. Pappalardo ◽  
Enrique Sánchez Marcos
Keyword(s):  
Interaction Potential ◽  
First Principles ◽  
Water Interaction ◽  
Study Development

scholarly journals Density matrix renormalization group with efficient dynamical electron correlation through range separation

2015 ◽  
Vol 142 (22) ◽  
pp. 224108 ◽  
Author(s):  
Erik Donovan Hedegård ◽  
Stefan Knecht ◽  
Jesper Skau Kielberg ◽  
Hans Jørgen Aagaard Jensen ◽  
Markus Reiher
Keyword(s):  
Renormalization Group ◽  
Density Matrix ◽  
Electron Correlation ◽  
Density Matrix Renormalization Group ◽  
Density Matrix Renormalization
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