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AB initio studies of chemical equilibria. Application of many-body rayleigh-schrödinger perturbation theory up to third order to the proton affinity of water

✍ Scribed by Vladimír Kellö; Miroslav Urban; Ivan Hubač; Petr Čársky


Book ID
107731660
Publisher
Elsevier Science
Year
1978
Tongue
English
Weight
324 KB
Volume
58
Category
Article
ISSN
0009-2614

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Application of many-body rayleigh-schröd
✍ I. Hubač; V. Kvasnička; A. Holubec 📂 Article 📅 1973 🏛 Elsevier Science 🌐 English ⚖ 326 KB

The ionization potentials and electron affinities are calculated by the use of the many-body Rayleigh-SchrBdinger perturbation theory. This approach is elaborated up to the third order, where each perturbation contribution can be interpreted by the diagrammatic method. Some simple illustrative calcu