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A density-functional model of the dispersion interaction

โœ Scribed by Becke, Axel D.; Johnson, Erin R.


Book ID
121746474
Publisher
American Institute of Physics
Year
2005
Tongue
English
Weight
268 KB
Volume
123
Category
Article
ISSN
0021-9606

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A time dependent density functional meth
โœ Akira Yoshimori ๐Ÿ“‚ Article ๐Ÿ“… 2001 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 303 KB

A new method is developed to study nonlinear dynamics of molecular liquids. It is a time dependent density functional method for the interaction site model. The nonlinear Ltmgevin theory provides the formulation of the method. An approximation is introduced to calculate the reversible term.