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Sturmians and generalized sturmians in quantum theory

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Authors:
  • Avery, John Scales ;
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    Department of Chemistry, Faculty of Science, Københavns Universitet
  • Avery, James Emil
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    Orcid logo0000-0001-7772-3440
    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

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