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Frank Jensen

The calculation of electric dipole moments from the polarization propagator. Theory and application

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The calculation of electric dipole moments from the polarization propagator. Theory and application. / Geertsen, Jan; Jensen, F.; Scuseria, Gustavo E.

In: Journal of Chemical Physics, Vol. 91, No. 1, 1989, p. 364-367.

Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

Harvard

Geertsen, J, Jensen, F & Scuseria, GE 1989, 'The calculation of electric dipole moments from the polarization propagator. Theory and application', Journal of Chemical Physics, vol. 91, no. 1, pp. 364-367. https://doi.org/10.1063/1.457468

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Author

Geertsen, Jan ; Jensen, F. ; Scuseria, Gustavo E. / The calculation of electric dipole moments from the polarization propagator. Theory and application. In: Journal of Chemical Physics. 1989 ; Vol. 91, No. 1. pp. 364-367.

Bibtex

@article{a91d90a97b924113bea39b7a61301b84,
title = "The calculation of electric dipole moments from the polarization propagator. Theory and application",
abstract = "A method for computation of dipole moments from the polarization propagator is presented and applied to the HO molecule. Using extended basis sets it is shown that the coupled cluster singles doubles polarization propagator approximation (CCSDPPA) reproduces the experimental dipole moment to a high degree of accuracy",
author = "Jan Geertsen and F. Jensen and Scuseria, {Gustavo E.}",
year = "1989",
doi = "10.1063/1.457468",
language = "English",
volume = "91",
pages = "364--367",
journal = "Journal of Chemical Physics",
issn = "0021-9606",
publisher = "AMER INST PHYSICS",
number = "1",

}

RIS

TY - JOUR

T1 - The calculation of electric dipole moments from the polarization propagator. Theory and application

AU - Geertsen, Jan

AU - Jensen, F.

AU - Scuseria, Gustavo E.

PY - 1989

Y1 - 1989

N2 - A method for computation of dipole moments from the polarization propagator is presented and applied to the HO molecule. Using extended basis sets it is shown that the coupled cluster singles doubles polarization propagator approximation (CCSDPPA) reproduces the experimental dipole moment to a high degree of accuracy

AB - A method for computation of dipole moments from the polarization propagator is presented and applied to the HO molecule. Using extended basis sets it is shown that the coupled cluster singles doubles polarization propagator approximation (CCSDPPA) reproduces the experimental dipole moment to a high degree of accuracy

UR - http://www.scopus.com/inward/record.url?scp=0011409267&partnerID=8YFLogxK

U2 - 10.1063/1.457468

DO - 10.1063/1.457468

M3 - Journal article

VL - 91

SP - 364

EP - 367

JO - Journal of Chemical Physics

JF - Journal of Chemical Physics

SN - 0021-9606

IS - 1

ER -