DOI: 10.1063/1.431209. Parallel polarizabilities of diatomic molecules via the partial-wave SCF procedure

Parallel polarizabilities of diatomic molecules via the partial-wave SCF procedure

10.1063/1.431209

Crossref journal-article

AIP Publishing

The Journal of Chemical Physics (317)

Abstract

The results of polarizability calculations on several small diatomic molecules using the recently implemented partial-wave self-consistent-field (PWSCF) method are reported. These calculations were done with the sigma orbital version of the PWSCF program so that only αzz, the polarizability tensor component parallel to the internuclear axis, could be computed. The results are compared with matrix SCF (MSCF) results and with exact results, where available. (AIP)

Bibliography

McCullough, E. A. (1975). Parallel polarizabilities of diatomic molecules via the partial-wave SCF procedure. The Journal of Chemical Physics, 63(11), 5050â5051.

Authors 1

E. A. McCullough (first)

References 9 Referenced 19

10.1063/1.1671609 / J. Chem. Phys. (1969)
10.1016/S0092-640X(71)80007-4 / At. Data (1971)
10.1063/1.430322 / J. Chem. Phys. (1975)
10.1063/1.1696518 / J. Chem. Phys. (1965)
10.1063/1.1701512 / J. Chem. Phys. (1965)
10.1063/1.1726717 / J. Chem. Phys. (1966)
10.1063/1.1725500 / J. Chem. Phys. (1964)
10.1063/1.1841276 / J. Chem. Phys. (1967)
10.1063/1.1712386 / J. Chem. Phys. (1967)

Dates

Type	When
Created	22 years, 6 months ago (Feb. 27, 2003, 3:57 p.m.)
Deposited	1 year, 6 months ago (Feb. 9, 2024, 9:17 a.m.)
Indexed	1 year, 6 months ago (Feb. 10, 2024, 3:24 a.m.)
Issued	49 years, 9 months ago (Dec. 1, 1975)
Published	49 years, 9 months ago (Dec. 1, 1975)
Published Print	49 years, 9 months ago (Dec. 1, 1975)

Funders 0

None

BibTeX

@article{McCullough_1975, title={Parallel polarizabilities of diatomic molecules via the partial-wave SCF procedure}, volume={63}, ISSN={1089-7690}, url={http://dx.doi.org/10.1063/1.431209}, DOI={10.1063/1.431209}, number={11}, journal={The Journal of Chemical Physics}, publisher={AIP Publishing}, author={McCullough, E. A.}, year={1975}, month=dec, pages={5050–5051} }

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