DOI: 10.1063/1.1668159. Polarizability of Molecular Hydrogen

10.1063/1.1668159

Crossref journal-article

AIP Publishing

The Journal of Chemical Physics (317)

Abstract

A summation technique is used to calculate the static dipole electric polarizabilities of molecular hydrogen. The technique requires a complete set of single-particle Hartree–Fock states. The occupied Hartree–Fock orbitals for molecular hydrogen are bound, and the complementary set of Hartree–Fock orbitals all lie in the continuum. Such a basis set permits one to evaluate the required sums by integrating over the excited states. The uncoupled Hartree–Fock model is used to calculate the zero-order terms of the components of the polarizability tensor. The first-order corrections to the components of the polarizability tensor are calculated using double perturbation theory. At the equilibrium internuclear separation, R = 1.4 a0, the static parallel dipole polarizability α‖ and static perpendicular polarizability α⊥ are 0.941 Å3 and 0.728 Å3, respectively, which compare favorably with the values 0.944 Å3 and 0.677 Å3 calculated by Kolos and Wolniewicz using a variation–perturbation method. The results are also in satisfactory agreement with the experimental values.

Bibliography

Wilkins, R. L., & Taylor, H. S. (1968). Polarizability of Molecular Hydrogen. The Journal of Chemical Physics, 48(11), 4934â4937.

Authors 2

Roger L. Wilkins (first)
Howard S. Taylor (additional)

References 14 Referenced 22

10.1063/1.1749727 / J. Chem. Phys. (1935)
{'key': '2024020903370238600_r2', 'first-page': '178', 'volume': 'A65', 'year': '1952', 'journal-title': 'Proc. Phys. Soc. (London)'} / Proc. Phys. Soc. (London) (1952)
10.1063/1.1734575 / J. Chem. Phys. (1963)
10.1063/1.1840870 / J. Chem. Phys. (1967)
10.1063/1.1727450 / J. Chem. Phys. (1966)
{'key': '2024020903370238600_r6', 'first-page': '534', 'volume': '43', 'year': '1965', 'journal-title': 'J. Chem. Phys.'} / J. Chem. Phys. (1965)
10.1063/1.1701512 / J. Chem. Phys. (1965)
10.1080/00018736200101302 / Advan. Phys. (1962)
10.1063/1.1726702 / J. Chem. Phys. (1966)
10.1063/1.1840396 / J. Chem. Phys. (1967)
{'key': '2024020903370238600_r8', 'first-page': '256', 'volume': '1', 'year': '1964', 'journal-title': 'Advan. Quantum Chem.'} / Advan. Quantum Chem. (1964)
10.1063/1.1725349 / J. Chem. Phys. (1964)
{'key': '2024020903370238600_r10'}
{'key': '2024020903370238600_r11'}

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, 10:39 p.m.)
Indexed	1 year ago (Aug. 6, 2024, 1:18 a.m.)
Issued	57 years, 2 months ago (June 1, 1968)
Published	57 years, 2 months ago (June 1, 1968)
Published Print	57 years, 2 months ago (June 1, 1968)

Funders 0

None

BibTeX

@article{Wilkins_1968, title={Polarizability of Molecular Hydrogen}, volume={48}, ISSN={1089-7690}, url={http://dx.doi.org/10.1063/1.1668159}, DOI={10.1063/1.1668159}, number={11}, journal={The Journal of Chemical Physics}, publisher={AIP Publishing}, author={Wilkins, Roger L. and Taylor, Howard S.}, year={1968}, month=jun, pages={4934–4937} }

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