DOI: 10.1063/1.1674013. Application of Many-Body Perturbation Theory to the Hydrogen Molecule

Application of Many-Body Perturbation Theory to the Hydrogen Molecule

10.1063/1.1674013

Crossref journal-article

AIP Publishing

The Journal of Chemical Physics (317)

Abstract

The hydrogen molecule total energy, polarizabilities, and electron-coupled nuclear spin-spin Fermi interaction are studied by many-body perturbation theory. Two potentials, the Hartree and Hartree–Fock, are considered. Through second order the energies are within several kilocalories per mole of the accurate nonrelativistic values. The Hartree–Fock expansion is reasonably accurate through first order for polarizabilities and gives very good agreement with experiment if a rather simple geometric approximation is used. For the spin–spin coupling constant, good agreement with experiment is obtained using the Hartree potential and considering some second- and higher-order diagrams.

Bibliography

Schulman, J. M., & Kaufman, D. N. (1970). Application of Many-Body Perturbation Theory to the Hydrogen Molecule. The Journal of Chemical Physics, 53(2), 477â484.

Authors 2

Jerome M. Schulman (first)
D. Neal Kaufman (additional)

References 49 Referenced 117

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Dates

Type	When
Created	21 years, 6 months ago (Feb. 6, 2004, 3:15 p.m.)
Deposited	1 year, 6 months ago (Feb. 9, 2024, 2:18 a.m.)
Indexed	1 year, 5 months ago (March 20, 2024, 7:19 a.m.)
Issued	55 years, 1 month ago (July 15, 1970)
Published	55 years, 1 month ago (July 15, 1970)
Published Print	55 years, 1 month ago (July 15, 1970)

Funders 0

None

BibTeX

@article{Schulman_1970, title={Application of Many-Body Perturbation Theory to the Hydrogen Molecule}, volume={53}, ISSN={1089-7690}, url={http://dx.doi.org/10.1063/1.1674013}, DOI={10.1063/1.1674013}, number={2}, journal={The Journal of Chemical Physics}, publisher={AIP Publishing}, author={Schulman, Jerome M. and Kaufman, D. Neal}, year={1970}, month=jul, pages={477–484} }

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