Molecular integrals for slater type orbitals using coulomb sturmians

Research output: Contribution to journal › Journal article › Research › peer-review

Standard

Molecular integrals for slater type orbitals using coulomb sturmians. / Avery, James Emil; Avery, John Scales.

In: Journal of Mathematical Chemistry, Vol. 52, No. 1, 12.01.2014, p. 301-312.

Research output: Contribution to journal › Journal article › Research › peer-review

Harvard

Avery, JE & Avery, JS 2014, 'Molecular integrals for slater type orbitals using coulomb sturmians', Journal of Mathematical Chemistry, vol. 52, no. 1, pp. 301-312. https://doi.org/10.1007/s10910-013-0264-2

APA

Avery, J. E., & Avery, J. S. (2014). Molecular integrals for slater type orbitals using coulomb sturmians. Journal of Mathematical Chemistry, 52(1), 301-312. https://doi.org/10.1007/s10910-013-0264-2

Vancouver

Avery JE, Avery JS. Molecular integrals for slater type orbitals using coulomb sturmians. Journal of Mathematical Chemistry. 2014 Jan 12;52(1):301-312. https://doi.org/10.1007/s10910-013-0264-2

Author

Avery, James Emil ; Avery, John Scales. / Molecular integrals for slater type orbitals using coulomb sturmians. In: Journal of Mathematical Chemistry. 2014 ; Vol. 52, No. 1. pp. 301-312.

Bibtex

@article{60df7561e5f1448c91ee093f4d56d99d,
title = "Molecular integrals for slater type orbitals using coulomb sturmians",
abstract = "The use of Slater type orbitals in molecular calculations is hindered by the slowness of integral evaluation. In the present paper, we introduce a method for overcoming this problem by expanding STO's in terms of Coulomb Sturmians, for which the problem of evaluating molecular integrals rapidly has been satisfactorily solved using methods based on the theory of hyperspherical harmonics.",
author = "Avery, {James Emil} and Avery, {John Scales}",
year = "2014",
month = jan,
day = "12",
doi = "10.1007/s10910-013-0264-2",
language = "English",
volume = "52",
pages = "301--312",
journal = "Journal of Mathematical Chemistry",
issn = "0259-9791",
publisher = "Springer",
number = "1",

}

RIS

TY - JOUR

T1 - Molecular integrals for slater type orbitals using coulomb sturmians

AU - Avery, James Emil

AU - Avery, John Scales

PY - 2014/1/12

Y1 - 2014/1/12

N2 - The use of Slater type orbitals in molecular calculations is hindered by the slowness of integral evaluation. In the present paper, we introduce a method for overcoming this problem by expanding STO's in terms of Coulomb Sturmians, for which the problem of evaluating molecular integrals rapidly has been satisfactorily solved using methods based on the theory of hyperspherical harmonics.

AB - The use of Slater type orbitals in molecular calculations is hindered by the slowness of integral evaluation. In the present paper, we introduce a method for overcoming this problem by expanding STO's in terms of Coulomb Sturmians, for which the problem of evaluating molecular integrals rapidly has been satisfactorily solved using methods based on the theory of hyperspherical harmonics.

U2 - 10.1007/s10910-013-0264-2

DO - 10.1007/s10910-013-0264-2

M3 - Journal article

VL - 52

SP - 301

EP - 312

JO - Journal of Mathematical Chemistry

JF - Journal of Mathematical Chemistry

SN - 0259-9791

IS - 1

ER -

ID: 65372547