Sturmians and generalized sturmians in quantum theory

Research output: Chapter in Book/Report/Conference proceeding › Book chapter › Research › peer-review

Standard

Sturmians and generalized sturmians in quantum theory. / Avery, John Scales; Avery, James Emil.

Molecular electronic structures of transition metal complexes II. ed. / David Michael P. Mingos; Peter Day; Jens Peder Dahl. Springer, 2012. p. 53-99 (Structure and Bonding, Vol. 143).

Research output: Chapter in Book/Report/Conference proceeding › Book chapter › Research › peer-review

Harvard

Avery, JS & Avery, JE 2012, Sturmians and generalized sturmians in quantum theory. in DMP Mingos, P Day & JP Dahl (eds), Molecular electronic structures of transition metal complexes II. Springer, Structure and Bonding, vol. 143, pp. 53-99. https://doi.org/10.1007/430_2011_53

APA

Avery, J. S., & Avery, J. E. (2012). Sturmians and generalized sturmians in quantum theory. In D. M. P. Mingos, P. Day, & J. P. Dahl (Eds.), Molecular electronic structures of transition metal complexes II (pp. 53-99). Springer. Structure and Bonding Vol. 143 https://doi.org/10.1007/430_2011_53

Vancouver

Avery JS, Avery JE. Sturmians and generalized sturmians in quantum theory. In Mingos DMP, Day P, Dahl JP, editors, Molecular electronic structures of transition metal complexes II. Springer. 2012. p. 53-99. (Structure and Bonding, Vol. 143). https://doi.org/10.1007/430_2011_53

Author

Avery, John Scales ; Avery, James Emil. / Sturmians and generalized sturmians in quantum theory. Molecular electronic structures of transition metal complexes II. editor / David Michael P. Mingos ; Peter Day ; Jens Peder Dahl. Springer, 2012. pp. 53-99 (Structure and Bonding, Vol. 143).

Bibtex

@inbook{248ac5b855574f229b0f738e43453afd,
title = "Sturmians and generalized sturmians in quantum theory",
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{\textquoteright}s, especially the property of automatic scaling.",
keywords = "Faculty of Science, Exponential-type orbitals, Generalized Sturmians, Hyperspherical harmonics, Interelectron repulsion integrals",
author = "Avery, {John Scales} and Avery, {James Emil}",
year = "2012",
doi = "10.1007/430_2011_53",
language = "English",
isbn = "978-3-642-27377-3",
series = "Structure and Bonding",
publisher = "Springer",
pages = "53--99",
editor = "Mingos, {David Michael P.} and Peter Day and Dahl, {Jens Peder}",
booktitle = "Molecular electronic structures of transition metal complexes II",
address = "Switzerland",

}

RIS

TY - CHAP

T1 - Sturmians and generalized sturmians in quantum theory

AU - Avery, John Scales

AU - Avery, James Emil

PY - 2012

Y1 - 2012

N2 - 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.

AB - 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.

KW - Faculty of Science

KW - Exponential-type orbitals

KW - Generalized Sturmians

KW - Hyperspherical harmonics

KW - Interelectron repulsion integrals

U2 - 10.1007/430_2011_53

DO - 10.1007/430_2011_53

M3 - Book chapter

SN - 978-3-642-27377-3

T3 - Structure and Bonding

SP - 53

EP - 99

BT - Molecular electronic structures of transition metal complexes II

A2 - Mingos, David Michael P.

A2 - Day, Peter

A2 - Dahl, Jens Peder

PB - Springer

ER -

ID: 48839449