Sturmians and generalized sturmians in quantum theory

Research output: Chapter in Book/Report/Conference proceedingBook chapterResearchpeer-review

John Scales Avery, James Emil Avery

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.
Original languageEnglish
Title of host publicationMolecular electronic structures of transition metal complexes II
EditorsDavid Michael P. Mingos, Peter Day, Jens Peder Dahl
Number of pages47
PublisherSpringer
Publication date2012
Pages53-99
ISBN (Print)978-3-642-27377-3
ISBN (Electronic)978-3-642-27378-0
DOIs
Publication statusPublished - 2012
SeriesStructure and Bonding
Volume143
ISSN0081-5993

    Research areas

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

ID: 48839449