Time-dependent density functional theory (TDDFT) calculations for core-excited states: Assessment of an exchange functional combining the Becke88 and van Leeuwen–Baerends-type functionals-Reference-Cited by-同舟云学术

Time-dependent density functional theory (TDDFT) calculations for core-excited states: Assessment of an exchange functional combining the Becke88 and van Leeuwen–Baerends-type functionals

Published:2006-02 Issue:1-3 Volume:419 Page:297-303
ISSN:0009-2614
Container-title:Chemical Physics Letters
language:en
Short-container-title:Chemical Physics Letters

Author:

Imamura Yutaka,Nakai Hiromi

Publisher

Elsevier BV

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Reference35 articles.

1. Density Functional Theory of Atoms and Molecules;Parr,1989

2. Density-functional exchange-energy approximation with correct asymptotic behavior

3. Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density

4. Density‐functional thermochemistry. III. The role of exact exchange

5. Comparative assessment of a new nonempirical density functional: Molecules and hydrogen-bonded complexes

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