DOI: 10.1063/1.1679481. Application of the many-body Green's function formalism to the lithium atom

Application of the many-body Green's function formalism to the lithium atom

10.1063/1.1679481

Crossref journal-article

AIP Publishing

The Journal of Chemical Physics (317)

Abstract

The techniques of many-body Green's function theory have been applied to the calculation of properties of the lithium atom. Using basis set expansion techniques and a second-order expansion of the self-energy, Dyson's equation was solved, and the first-order reduced density matrix and the first ionization potential for the lithium ground state were computed. The natural spin orbitals of s symmetry were in excellent argeement with those computed from wavefunctions. The ionization potential was within 0.01 eV of the exact experimental result.

Bibliography

Reinhardt, W. P., & Smith, J. B. (1973). Application of the many-body Greenâs function formalism to the lithium atom. The Journal of Chemical Physics, 58(5), 2148â2152.

Authors 2

William P. Reinhardt (first)
Jeffrey B. Smith (additional)

References 13 Referenced 27

10.1063/1.1671446 / J. Chem. Phys. (1969)
10.1063/1.1678374 / J. Chem. Phys. (1972)
10.1088/0034-4885/27/1/303 / Rept. Progr. Phys. (1964)
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10.1103/PhysRev.171.54 / Phys. Rev. (1968)
10.1103/PhysRev.160.44 / Phys. Rev. (1967)
10.1103/PhysRevA.1.855 / Phys. Rev. A (1970)
10.1103/PhysRev.97.1474 / Phys. Rev. (1955)
10.1103/PhysRev.136.B896 / Phys. Rev. (1964)
10.1103/PhysRev.174.1 / Phys. Rev. (1968)
10.1103/PhysRev.131.684 / Phys. Rev. (1963)
10.1103/PhysRev.178.137 / Phys. Rev. (1969)
10.1103/PhysRev.169.49 / Phys. Rev. (1968)

Dates

Type	When
Created	21 years, 6 months ago (Feb. 4, 2004, 5:30 p.m.)
Deposited	1 year, 6 months ago (Feb. 9, 2024, 6:11 a.m.)
Indexed	1 year, 6 months ago (Feb. 9, 2024, 3:42 p.m.)
Issued	52 years, 5 months ago (March 1, 1973)
Published	52 years, 5 months ago (March 1, 1973)
Published Print	52 years, 5 months ago (March 1, 1973)

Funders 0

None

BibTeX

@article{Reinhardt_1973, title={Application of the many-body Green’s function formalism to the lithium atom}, volume={58}, ISSN={1089-7690}, url={http://dx.doi.org/10.1063/1.1679481}, DOI={10.1063/1.1679481}, number={5}, journal={The Journal of Chemical Physics}, publisher={AIP Publishing}, author={Reinhardt, William P. and Smith, Jeffrey B.}, year={1973}, month=mar, pages={2148–2152} }

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