Assessing the role of Hartree-Fock exchange, correlation energy and long range corrections in evaluating ionization potential, and electron affinity in density functional theory
© 2017 Wiley Periodicals, Inc.
| Publié dans: | Journal of computational chemistry. - 1984. - 38(2017), 21 vom: 05. Juni, Seite 1844-1852 |
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| Auteur principal: | |
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| Format: | Article en ligne |
| Langue: | English |
| Publié: |
2017
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| Accès à la collection: | Journal of computational chemistry |
| Sujets: | Journal Article Research Support, Non-U.S. Gov't CCSD(T) density functional theory electron affinity fundamental gap ionization potential |
| Accès en ligne |
Volltext |