4-center STO interelectron repulsion integrals with Coulomb Sturmians

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4-center STO interelectron repulsion integrals with Coulomb Sturmians. / Avery, James Emil; Avery, John Scales.

In: Advances in Quantum Chemistry, Vol. 76, 2018, p. 133-146.

Research output: Contribution to journalConference articlepeer-review

Harvard

Avery, JE & Avery, JS 2018, '4-center STO interelectron repulsion integrals with Coulomb Sturmians', Advances in Quantum Chemistry, vol. 76, pp. 133-146. https://doi.org/10.1016/bs.aiq.2017.07.005

APA

Avery, J. E., & Avery, J. S. (2018). 4-center STO interelectron repulsion integrals with Coulomb Sturmians. Advances in Quantum Chemistry, 76, 133-146. https://doi.org/10.1016/bs.aiq.2017.07.005

Vancouver

Avery JE, Avery JS. 4-center STO interelectron repulsion integrals with Coulomb Sturmians. Advances in Quantum Chemistry. 2018;76:133-146. https://doi.org/10.1016/bs.aiq.2017.07.005

Author

Avery, James Emil ; Avery, John Scales. / 4-center STO interelectron repulsion integrals with Coulomb Sturmians. In: Advances in Quantum Chemistry. 2018 ; Vol. 76. pp. 133-146.

Bibtex

@inproceedings{acbcbaac1a7943dfab7bc34dea71aac6,
title = "4-center STO interelectron repulsion integrals with Coulomb Sturmians",
abstract = "Abstract We present a method for evaluating 4-center electron repulsion integrals (ERI) for Slater-type orbitals by way of expansions in terms of Coulomb Sturmians. The ERIs can then be evaluated using our previously published methods for rapid evaluation of Coulomb Sturmians through hyperspherical harmonics. Numerical investigations are made of the efficiency in 1- and 2-center cases where the exact integrals can be evaluated.",
author = "Avery, {James Emil} and Avery, {John Scales}",
year = "2018",
doi = "10.1016/bs.aiq.2017.07.005",
language = "English",
volume = "76",
pages = "133--146",
journal = "Advances in Quantum Chemistry",
issn = "0065-3276",
publisher = "Academic Press",

}

RIS

TY - GEN

T1 - 4-center STO interelectron repulsion integrals with Coulomb Sturmians

AU - Avery, James Emil

AU - Avery, John Scales

PY - 2018

Y1 - 2018

N2 - Abstract We present a method for evaluating 4-center electron repulsion integrals (ERI) for Slater-type orbitals by way of expansions in terms of Coulomb Sturmians. The ERIs can then be evaluated using our previously published methods for rapid evaluation of Coulomb Sturmians through hyperspherical harmonics. Numerical investigations are made of the efficiency in 1- and 2-center cases where the exact integrals can be evaluated.

AB - Abstract We present a method for evaluating 4-center electron repulsion integrals (ERI) for Slater-type orbitals by way of expansions in terms of Coulomb Sturmians. The ERIs can then be evaluated using our previously published methods for rapid evaluation of Coulomb Sturmians through hyperspherical harmonics. Numerical investigations are made of the efficiency in 1- and 2-center cases where the exact integrals can be evaluated.

U2 - 10.1016/bs.aiq.2017.07.005

DO - 10.1016/bs.aiq.2017.07.005

M3 - Conference article

VL - 76

SP - 133

EP - 146

JO - Advances in Quantum Chemistry

JF - Advances in Quantum Chemistry

SN - 0065-3276

ER -

ID: 212250864