## Abstract We present a density functional for firstβprinciples molecular dynamics simulations that includes the electrostatic effects of a continuous dielectric medium. It allows for numerical simulations of molecules in solution in a model polar solvent. We propose a smooth dielectric model func
Ab initio dynamic correlation effects in density functional theories: a density based study for argon
β Scribed by Karol Jankowski; Krzysztof Nowakowski; Ireneusz Grabowski; Jan Wasilewski
- Publisher
- Springer
- Year
- 2009
- Tongue
- English
- Weight
- 556 KB
- Volume
- 125
- Category
- Article
- ISSN
- 1432-2234
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