DOI: 10.1063/1.1679398. Gauge invariance, current conservation, and GIAO's

Gauge invariance, current conservation, and GIAO's

10.1063/1.1679398

Crossref journal-article

AIP Publishing

The Journal of Chemical Physics (317)

Abstract

The well-known relationship between gauge invariance and current conservation is exhibited within the usual quantum mechanical formalism. It is then shown that the use of Gauge Invariant Atomic Orbitals does not necessarily lead to the expected current conservation. The reason is found to lie in the constrained nature of the gauge invariance which is provided by the use of GIAO's. It is concluded that this invariance is, of itself, no argument in favor of their use.

Bibliography

Epstein, S. T. (1973). Gauge invariance, current conservation, and GIAOâs. The Journal of Chemical Physics, 58(4), 1592â1595.

Authors 1

S. T. Epstein (first)

References 21 Referenced 141

10.1103/RevModPhys.13.203 / Rev. Mod. Phys. (1941)
{'key': '2024020910011435700_r2', 'first-page': '307', 'volume': '8', 'year': '1937', 'journal-title': 'J. Phys. Rad.'} / J. Phys. Rad. (1937)
10.1063/1.1677088 / J. Chem. Phys. (1972)
{'key': '2024020910011435700_r3', 'first-page': '1762', 'volume': '33', 'year': '1960', 'journal-title': 'J. Chem. Phys.'} / J. Chem. Phys. (1960)
{'key': '2024020910011435700_r4'}
10.1103/PhysRev.123.1495 / Phys. Rev. (1961)
{'key': '2024020910011435700_r6', 'first-page': '2896', 'volume': '42', 'year': '1965', 'journal-title': 'J. Chem. Phys.'} / J. Chem. Phys. (1965)
{'key': '2024020910011435700_r7'}
{'key': '2024020910011435700_r8'}
{'key': '2024020910011435700_r9'}
{'key': '2024020910011435700_r10'}
10.1016/0009-2614(71)80236-1 / Chem. Phys. Lett. (1971)
{'key': '2024020910011435700_r12'}
{'key': '2024020910011435700_r13', 'first-page': '179', 'volume': 'A226', 'year': '1954', 'journal-title': 'Proc. Roy. Soc.'} / Proc. Roy. Soc. (1954)
{'key': '2024020910011435700_r14'}
{'key': '2024020910011435700_r15'}
{'key': '2024020910011435700_r16'}
{'key': '2024020910011435700_r17'}
{'key': '2024020910011435700_r18', 'first-page': '1831', 'volume': '43', 'year': '1961', 'journal-title': 'J. Chem. Phys.'} / J. Chem. Phys. (1961)
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Dates

Type	When
Created	21 years, 6 months ago (Feb. 4, 2004, 5:30 p.m.)
Deposited	1 year, 6 months ago (Feb. 9, 2024, 6:01 a.m.)
Indexed	1 week ago (Aug. 27, 2025, 12:01 p.m.)
Issued	52 years, 6 months ago (Feb. 15, 1973)
Published	52 years, 6 months ago (Feb. 15, 1973)
Published Print	52 years, 6 months ago (Feb. 15, 1973)

Funders 0

None

BibTeX

@article{Epstein_1973, title={Gauge invariance, current conservation, and GIAO’s}, volume={58}, ISSN={1089-7690}, url={http://dx.doi.org/10.1063/1.1679398}, DOI={10.1063/1.1679398}, number={4}, journal={The Journal of Chemical Physics}, publisher={AIP Publishing}, author={Epstein, S. T.}, year={1973}, month=feb, pages={1592–1595} }

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