Sturmians and generalized sturmians in quantum theory
Publikation: Bidrag til bog/antologi/rapport › Bidrag til bog/antologi › Forskning › fagfællebedømt
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.
Originalsprog | Engelsk |
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Titel | Molecular electronic structures of transition metal complexes II |
Redaktører | David Michael P. Mingos, Peter Day, Jens Peder Dahl |
Antal sider | 47 |
Forlag | Springer |
Publikationsdato | 2012 |
Sider | 53-99 |
ISBN (Trykt) | 978-3-642-27377-3 |
ISBN (Elektronisk) | 978-3-642-27378-0 |
DOI | |
Status | Udgivet - 2012 |
Navn | Structure and Bonding |
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Vol/bind | 143 |
ISSN | 0081-5993 |
- Det Natur- og Biovidenskabelige Fakultet
Forskningsområder
ID: 48839449