Sturmians and generalized sturmians in quantum theory

John Scales Avery, James Emil Avery

2 Citationer (Scopus)

Abstract

The theory of Sturmians and generalized Sturmians is reviewed. It is shown that when generalized Sturmians are used as basis functions, calculations on the spectra and physical properties of few-electron atoms can be performed with great ease and good accuracy. The use of many-center Coulomb Sturmians as basis functions in calculations on N-electron molecules is also discussed. Basis sets of this type are shown to have many advantages over other types of ETO’s, especially the property of automatic scaling.
OriginalsprogEngelsk
TitelMolecular electronic structures of transition metal complexes II
RedaktørerDavid Michael P. Mingos, Peter Day, Jens Peder Dahl
Antal sider47
ForlagSpringer
Publikationsdato2012
Sider53-99
ISBN (Trykt)978-3-642-27377-3
ISBN (Elektronisk)978-3-642-27378-0
DOI
StatusUdgivet - 2012
NavnStructure and Bonding
Vol/bind143
ISSN0081-5993

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  • Det Natur- og Biovidenskabelige Fakultet

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