Optimization of Effective Atom Centered Potentials for London Dispersion Forces in Density Functional Theory
โ Scribed by von Lilienfeld, O. Anatole; Tavernelli, Ivano; Rothlisberger, Ursula; Sebastiani, Daniel
- Book ID
- 121278752
- Publisher
- The American Physical Society
- Year
- 2004
- Tongue
- English
- Weight
- 292 KB
- Volume
- 93
- Category
- Article
- ISSN
- 0031-9007
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๐ SIMILAR VOLUMES
Using the optimized effective potential method in conjunction with the semianalytical approximation due to Krieger, Li, and Iafrate, we performed fully selfconsistent exact exchange-only density functional calculations for diatomic molecules with a fully numerical basis-set-free molecular code. The
We present a time-dependent density-functional theory TDDFT with ## ลฝ . ลฝ . optimized effective potential OEP and self-interaction correction SIC for nonperturbative treatment of multiphoton and nonlinear optical processes of manyelectron systems in intense laser fields. The resulting TDOEPrKLI-SI