DOI: 10.1063/1.1727708. Vibronic Energy and Dipole Moment of HD

10.1063/1.1727708

Crossref journal-article

AIP Publishing

The Journal of Chemical Physics (317)

Abstract

The HD molecule has been treated by perturbation theory using the complete nonrelativistic four-particle Hamiltonian. In the zeroth order the calculations have been carried out with a 147-term variational wavefunction. The resulting energies and expectation values of several operators for the ground state and for the first vibrationally excited state are reported. The computed ground-state dissociation energy, D0, is by 1.9 cm−1 larger than the experimental value. By treating the mass difference of the nuclei as the perturbation parameter, a 103-term correction function was computed which yields the second-order correction to the energy E(2)=−0.04664 cm−1, and the dipole moment of the molecule μ=1.54 10−3 D.

Bibliography

Kol/os, W., & Wolniewicz, L. (1966). Vibronic Energy and Dipole Moment of HD. The Journal of Chemical Physics, 45(3), 944â946.

Authors 2

W. Kol/os (first)
L. Wolniewicz (additional)

References 10 Referenced 40

{'key': '2024020901155055500_r1', 'first-page': '708', 'volume': '21', 'year': '1935', 'journal-title': 'Atti Accad. Naz. Lincei Rend. Classe Sci. Fis. Mat. Nat.'} / Atti Accad. Naz. Lincei Rend. Classe Sci. Fis. Mat. Nat. (1935)
{'key': '2024020901155055500_r2', 'first-page': '563', 'volume': '166', 'year': '1950', 'journal-title': 'Nature'} / Nature (1950)
10.1139/p60-086 / Can. J. Phys. (1960)
10.1063/1.1700880 / J. Chem. Phys. (1960)
10.1063/1.1701248 / J. Chem. Phys. (1961)
10.1103/RevModPhys.35.473 / Rev. Mod. Phys. (1963)
10.1063/1.1725797 / J. Chem. Phys. (1964)
{'key': '2024020901155055500_r7'}
{'key': '2024020901155055500_r8'}
{'key': '2024020901155055500_r9'}

Dates

Type	When
Created	20 years, 7 months ago (Jan. 9, 2005, 4:42 a.m.)
Deposited	1 year, 6 months ago (Feb. 8, 2024, 8:15 p.m.)
Indexed	1 year, 6 months ago (Feb. 9, 2024, 8:23 p.m.)
Issued	59 years ago (Aug. 1, 1966)
Published	59 years ago (Aug. 1, 1966)
Published Print	59 years ago (Aug. 1, 1966)

Funders 0

None

BibTeX

@article{Kol_os_1966, title={Vibronic Energy and Dipole Moment of HD}, volume={45}, ISSN={1089-7690}, url={http://dx.doi.org/10.1063/1.1727708}, DOI={10.1063/1.1727708}, number={3}, journal={The Journal of Chemical Physics}, publisher={AIP Publishing}, author={Kol/os, W. and Wolniewicz, L.}, year={1966}, month=aug, pages={944–946} }

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