DOI: 10.1063/1.1680858. Atomic and molecular electronic spectra and properties from the electron propagator

Atomic and molecular electronic spectra and properties from the electron propagator

10.1063/1.1680858

Crossref journal-article

AIP Publishing

The Journal of Chemical Physics (317)

Abstract

Decoupling in terms of the superoperator formalism according to Pickup and Goscinski is employed to find tractable forms of the self-energy operator leading to direct calculation of the electron propagator or Green's function. This is applied to the calculation of photoelectron line spectra, ground state total energies, and electronic properties of atoms and molecules. Numerical results for the helium atom and the nitrogen molecule are reported.

Bibliography

Purvis, G. D., & Ãhrn, Y. (1974). Atomic and molecular electronic spectra and properties from the electron propagator. The Journal of Chemical Physics, 60(10), 4063â4069.

Authors 2

George D. Purvis (first)
Yngve Öhrn (additional)

References 24 Referenced 182

{'key': '2024020911494047100_r1'}
{'key': '2024020911494047100_r2'}
10.1016/S0065-2199(08)60363-2 / Adv. At. Mol. Phys. (1971)
10.1016/0009-2614(67)80025-3 / Chem. Phys. Lett. (1967)
{'key': '2024020911494047100_r5'}
10.1016/0009-2614(70)87007-5 / Chem. Phys. Lett. (1970)
10.1080/00268977300102261 / Mol. Phys. (1973)
10.1063/1.1679074 / J. Chem. Phys. (1973)
10.1103/PhysRev.139.A357 / Phys. Rev. (1965)
{'key': '2024020911494047100_r9', 'first-page': '1', 'volume': '23', 'year': '1969', 'journal-title': 'Solid State Phys.'} / Solid State Phys. (1969)
10.1103/PhysRev.129.897 / Phys. Rev. (1963)
{'key': '2024020911494047100_r11'}
{'key': '2024020911494047100_r12'}
{'key': '2024020911494047100_r13', 'first-page': '896', 'volume': '136', 'year': '1968', 'journal-title': 'Phys. Rev.'} / Phys. Rev. (1968)
10.1063/1.1678374 / J. Chem. Phys. (1972)
{'key': '2024020911494047100_r14a', 'first-page': '2148', 'volume': '58', 'year': '1972', 'journal-title': 'J. Chem. Phys.'} / J. Chem. Phys. (1972)
10.1103/PhysRevA.7.146 / Phys. Rev. A (1973)
{'key': '2024020911494047100_r16'}
{'key': '2024020911494047100_r17', 'first-page': '104', 'volume': '1', 'year': '1933', 'journal-title': 'Physica (The Hague)'} / Physica (The Hague) (1933)
10.1063/1.1726972 / J. Chem. Phys. (1966)
10.1016/0009-2614(71)80375-5 / Chem. Phys. Lett. (1971)
10.1016/0009-2614(73)80451-8 / Chem. Phys. Lett. (1973)
10.1063/1.1725063 / J. Chem. Phys. (1964)
10.1103/PhysRev.156.35 / Phys. Rev. (1967)

Dates

Type	When
Created	21 years, 6 months ago (Feb. 6, 2004, 4:10 p.m.)
Deposited	1 year, 6 months ago (Feb. 9, 2024, 7:43 a.m.)
Indexed	5 days, 17 hours ago (Aug. 27, 2025, 12:18 p.m.)
Issued	51 years, 3 months ago (May 15, 1974)
Published	51 years, 3 months ago (May 15, 1974)
Published Print	51 years, 3 months ago (May 15, 1974)

Funders 0

None

BibTeX

@article{Purvis_1974, title={Atomic and molecular electronic spectra and properties from the electron propagator}, volume={60}, ISSN={1089-7690}, url={http://dx.doi.org/10.1063/1.1680858}, DOI={10.1063/1.1680858}, number={10}, journal={The Journal of Chemical Physics}, publisher={AIP Publishing}, author={Purvis, George D. and Öhrn, Yngve}, year={1974}, month=may, pages={4063–4069} }

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