Kramers Pairs in configuration interaction

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

Standard

Kramers Pairs in configuration interaction. / Avery, John Scales; Avery, James Emil.

In: Advances in Quantum Chemistry, Vol. 43, 2003, p. 185–206.

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

Harvard

Avery, JS & Avery, JE 2003, 'Kramers Pairs in configuration interaction', Advances in Quantum Chemistry, vol. 43, pp. 185–206. https://doi.org/10.1016/S0065-3276(03)43005-0

APA

Avery, J. S., & Avery, J. E. (2003). Kramers Pairs in configuration interaction. Advances in Quantum Chemistry, 43, 185–206. https://doi.org/10.1016/S0065-3276(03)43005-0

Vancouver

Avery JS, Avery JE. Kramers Pairs in configuration interaction. Advances in Quantum Chemistry. 2003;43:185–206. https://doi.org/10.1016/S0065-3276(03)43005-0

Author

Avery, John Scales ; Avery, James Emil. / Kramers Pairs in configuration interaction. In: Advances in Quantum Chemistry. 2003 ; Vol. 43. pp. 185–206.

Bibtex

@article{de23e42075a511dcbee902004c4f4f50,
title = "Kramers Pairs in configuration interaction",
abstract = "The theory of symmetry-preserving Kramers pair creation operators isreviewed and formulas for applying these operators to configurationinteraction calculations are derived. A new and more general typeof symmetry-preserving pair creation operator is proposed and shownto commute with the total spin operator and with all of thesymmetry operations which leave the core Hamiltonian of a many-electronsystem invariant. The theory is extended to cases where orthonormalityof orbitals of different configurations cannot be assumed.",
keywords = "Faculty of Science, atomspektre, symmetritilpasset, Sturm-baser, den generalisede Sturm-metode, Russel-Saunders-tilstande, atomic spectra, kramer's pairs, symmetry adapted, Sturmian bases, generalized Sturmian method, Russel Saunders states, creation operators, annihilation operators",
author = "Avery, {John Scales} and Avery, {James Emil}",
year = "2003",
doi = "10.1016/S0065-3276(03)43005-0",
language = "English",
volume = "43",
pages = "185–206",
journal = "Advances in Quantum Chemistry",
issn = "0065-3276",
publisher = "Academic Press",

}

RIS

TY - JOUR

T1 - Kramers Pairs in configuration interaction

AU - Avery, John Scales

AU - Avery, James Emil

PY - 2003

Y1 - 2003

N2 - The theory of symmetry-preserving Kramers pair creation operators isreviewed and formulas for applying these operators to configurationinteraction calculations are derived. A new and more general typeof symmetry-preserving pair creation operator is proposed and shownto commute with the total spin operator and with all of thesymmetry operations which leave the core Hamiltonian of a many-electronsystem invariant. The theory is extended to cases where orthonormalityof orbitals of different configurations cannot be assumed.

AB - The theory of symmetry-preserving Kramers pair creation operators isreviewed and formulas for applying these operators to configurationinteraction calculations are derived. A new and more general typeof symmetry-preserving pair creation operator is proposed and shownto commute with the total spin operator and with all of thesymmetry operations which leave the core Hamiltonian of a many-electronsystem invariant. The theory is extended to cases where orthonormalityof orbitals of different configurations cannot be assumed.

KW - Faculty of Science

KW - atomspektre

KW - symmetritilpasset

KW - Sturm-baser

KW - den generalisede Sturm-metode

KW - Russel-Saunders-tilstande

KW - atomic spectra

KW - kramer's pairs

KW - symmetry adapted

KW - Sturmian bases

KW - generalized Sturmian method

KW - Russel Saunders states

KW - creation operators

KW - annihilation operators

U2 - 10.1016/S0065-3276(03)43005-0

DO - 10.1016/S0065-3276(03)43005-0

M3 - Journal article

VL - 43

SP - 185

EP - 206

JO - Advances in Quantum Chemistry

JF - Advances in Quantum Chemistry

SN - 0065-3276

ER -

ID: 1245312