DOI: 10.1063/1.1669668. Vibrational and Rotational Energies for the B 1Σu + , C 1Πu, and a 3Σg + States of the Hydrogen Molecule

Vibrational and Rotational Energies for the B 1Σu + , C 1Πu, and a 3Σg + States of the Hydrogen Molecule

10.1063/1.1669668

Crossref journal-article

AIP Publishing

The Journal of Chemical Physics (317)

Abstract

An accurate potential-energy curve, including the diagonal corrections for nuclear motion, has been computed for the a 3Σg + state of H2, and the previously computed potential-energy curve for the B 1Σu + state has been supplemented with additional energy values for several internuclear distances. For both states, as well as for the C 1Πu state, the Schrödinger equation for nuclear motion has been integrated to yield the vibrational and rotational energies, as well as the rotational constants for all six isotopes of the hydrogen molecule. The reported theoretical results are in a good agreement with experimental values.

Bibliography

Kolos, W., & Wolniewicz, L. (1968). Vibrational and Rotational Energies for the B 1Î£uâ+â, C 1Î u, and a 3Î£gâ+â States of the Hydrogen Molecule. The Journal of Chemical Physics, 48(8), 3672â3680.

Authors 2

W. Kolos (first)
L. Wolniewicz (additional)

References 32 Referenced 206

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Dates

Type	When
Created	21 years, 6 months ago (Feb. 4, 2004, 4:33 p.m.)
Deposited	1 year, 6 months ago (Feb. 8, 2024, 10:37 p.m.)
Indexed	2 weeks, 6 days ago (Aug. 6, 2025, 8:31 a.m.)
Issued	57 years, 4 months ago (April 15, 1968)
Published	57 years, 4 months ago (April 15, 1968)
Published Print	57 years, 4 months ago (April 15, 1968)

Funders 0

None

BibTeX

@article{Kolos_1968, title={Vibrational and Rotational Energies for the B 1Σu + , C 1Πu, and a 3Σg + States of the Hydrogen Molecule}, volume={48}, ISSN={1089-7690}, url={http://dx.doi.org/10.1063/1.1669668}, DOI={10.1063/1.1669668}, number={8}, journal={The Journal of Chemical Physics}, publisher={AIP Publishing}, author={Kolos, W. and Wolniewicz, L.}, year={1968}, month=apr, pages={3672–3680} }

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