SYMMETRY-ADAPTED BASIS SETS

SYMMETRY-ADAPTED BASIS SETS

Auteur: Avery John Scales, Avery James Emil, Rettrup Sten
Uitgever: World Scientific Publishing Company
Publicatiedatum: 2011
ISBN: 9789814350464

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Key Features:
  • The book describes easy algorithms for automatic generation of symmetry-adapted basis functions
  • It also discusses the Generalized Sturmian Method and its applications to both atomic and molecular calculations. The method leads to automatic scaling of basis functions
  • A new method is introduced which applies hyperspherical harmonic theory to the rapid calculation of interelectron repulsion integrals involving exponential-type orbitals

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