Sturmians and generalized sturmians in quantum theory

John Scales Avery; James Emil Avery

doi:10.1007/430_2011_53

Sturmians and generalized sturmians in quantum theory

Authors:

Avery, John Scales ;
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Department of Chemistry, Faculty of Science, Københavns Universitet
Avery, James Emil
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0000-0001-7772-3440
Department of Computer Science, Faculty of Science, Københavns Universitet

Editor:

Mingos, David Michael P., Day, Peter, Dahl, Jens Peder

DOI:

10.1007/430_2011_53

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.

ISBN:

9783642273773, 9783642273780

Type:

Book chapter

Language:

English

Published in:

Structure and Bonding, 2012, p. 53-99

Keywords:

The Faculty of Science; Exponential-type orbitals; Generalized Sturmians; Hyperspherical harmonics; Interelectron repulsion integrals

Main Research Area:

Science/technology

Publication Status:

Published

Series:

Structure and Bonding

Review type:

Peer Review

Publisher:

Springer

Submission year:

2012

Scientific Level:

Scientific

ID:

250382325

Sturmians and generalized sturmians in quantum theory

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