Accurate density-functional calculation of core-electron binding energies with a scaled polarized triple-zeta basis set. (II). Confirmation with a total of seventy-six cases-Reference-Cited by-同舟云学术

Accurate density-functional calculation of core-electron binding energies with a scaled polarized triple-zeta basis set. (II). Confirmation with a total of seventy-six cases

Published:1997-03 Issue:1-2 Volume:216 Page:91-98
ISSN:0301-0104
Container-title:Chemical Physics
language:en
Short-container-title:Chemical Physics

Author:

Pulfer Mark,Hu Ching-Han,Chong Defano P.

Publisher

Elsevier BV

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Reference17 articles.

1. Accurate density-functional calculation of core-electron binding energies with a scaled polarized triple-zeta basis set. Twelve test cases and application to three C2H4O2 isomers

2. Generalization of Slater’s transition state concept

3. Statistical Exchange-Correlation in the Self-Consistent Field

4. Study of transition-state methods in the calculation of vertical ionization potentials by local density approximation

5. Proof that∂E∂ni=εin density-functional theory

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