- Authors:
- 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