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portada Molecular Electronic-Structure Theory
Type
Physical Book
Author
Publisher
Topic
physical chemistry
Collection
uk stms p & r
Year
2013
Language
English
Pages
944
Format
Paperback
Dimensions
24.6x18.8x5.3 cm
Weight
1.68 kg.
ISBN
1118531477
ISBN13
9781118531471
Edition No.
1
Categories

Molecular Electronic-Structure Theory

Trygve Helgaker (Author) · Poul Jorgensen (Author) · Jeppe Olsen (Author) · Wiley · Paperback

Molecular Electronic-Structure Theory - Helgaker, Trygve ; Jorgensen, Poul ; Olsen, Jeppe

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Synopsis "Molecular Electronic-Structure Theory "

Spätestens seit der Entwicklung leistungsfähiger Computerprogramme interessieren sich auch Nichtspezialisten für die theoretischen Grundlagen quantenchemischer Berechnungen. Dieses Buch bietet einen umfassenden, modernen Überblick über die zweite Quantisierung, Wellenfunktionen, Basissätze und Integrale; alle gängigen Verfahren werden berücksichtigt (Hartree-Fock-Theorie, CI, MCSCF, Coupled Clusters, Störungstheorie). Ausführlich diskutiert wird auch die Kalibration der Methoden. (03/00)

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