The restricted Hartree-Fock method is subject to a first-order perturbation theory regularization of the electron repulsion integrals representation, to mimic the electron-electron correlation hole effect. The efficiency of this regularization is demonstrated for electron affinities and ionization e
ChemInform Abstract: Correlations in Ionic Solids by Means of ab initio Quantum Chemistry.
β Scribed by K. DOLL; M. DOLG; P. FULDE; H. STOLL
- Publisher
- John Wiley and Sons
- Year
- 2010
- Weight
- 25 KB
- Volume
- 29
- Category
- Article
- ISSN
- 0931-7597
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## Abstract ChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 100 leading journals. To access a ChemInform Abstract of an article which was published elsewhere, please select a βFull Textβ option. The original article is trackable v
## Abstract ChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 200 leading journals. To access a ChemInform Abstract of an article which was published elsewhere, please select a βFull Textβ option. The original article is trackable v