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Electron propagator theory of molecular anions

J. Chem. Phys. 72, 5744 (1980); doi:10.1063/1.438994

Issue Date: 15 May 1980

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J. V. Ortiz B. and Yngve Öhrn
Quantum Theory Project, University of Florida, Gainesville, Florida 32611
Recent developments of self-energy approximations, using renormalization techniques, are applied to the problem of calculating molecular electron affinites as poles of the electron propagator. Particular emphasis is put on the size of orbital bases used. The CN and the Cl2 molecules are studied and the results show promising agreement with recent experiments. The Journal of Chemical Physics is copyrighted by The American Institute of Physics.
Permalink: http://link.aip.org/link/?JCPSA6/72/5744/1
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PACS

  • 31.10.+z
    Electronic structure of atoms and molecules: theory General theory of electronic structure, electronic transitions, and chemical binding
  • YEAR: 1980

PUBLICATION DATA

ISSN:
0021-9606 (print)   1089-7690 (online)
Publisher:
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