Wir verwenden Cookies und Analyse-Tools, um die Nutzerfreundlichkeit der Internet-Seite zu verbessern und für Marketingzwecke. Wenn Sie fortfahren, diese Seite zu verwenden, nehmen wir an, dass Sie damit einverstanden sind. Zur Datenschutzerklärung.
N-electron Valence State Perturbation Theory
CHF 43.20
Auf Lager
SKU
E06J61CLKFS
1 Verfügbar 
Geliefert zwischen Mi., 26.11.2025 und Do., 27.11.2025
Details
Please note that the content of this book primarily consists of articles available from Wikipedia or other free sources online. In quantum chemistry, n-electron valence state perturbation theory (NEVPT) is a perturbative treatment applicable to multireference CASCI-type wavefunctions. It can be considered as a generalization of the well-known second-order Møller-Plesset perturbation theory to multireference Complete Active Space cases. The theory is directly integrated into the quantum chemistry package DALTON. The research performed into the development of this theory lead to various implementations. The theory here presented refers to the deployment for the Single-State NEVPT, where the perturbative correction is applied to a single electronic state. Research implementations has been also developed for Quasi-Degenerate cases, where a set of electronic states undergo the perturbative correction at the same time, allowing interaction among themselves. The theory development makes use of the quasi-degenerate formalism by Lindgren and the Hamiltonian multipartitioning technique from Zaitsevskii and Malrieu.
Weitere Informationen
- Allgemeine Informationen
- GTIN 09786131226274
- Editor Lambert M. Surhone, Mariam T. Tennoe, Susan F. Henssonow
- Genre Physik & Astronomie
- Größe H220mm x B220mm
- EAN 9786131226274
- Format Fachbuch
- Titel N-electron Valence State Perturbation Theory
- Herausgeber Betascript Publishing
- Anzahl Seiten 80
Bewertungen
Schreiben Sie eine Bewertung
