Direct diagrammatic construction scheme for the inelastic propagator between simply excited states

Journal Article · Mon Aug 15 04:00:00 EDT 2005 · Physical Review. A

DOI:https://doi.org/10.1103/PhysRevA.72.022731· OSTI ID:20718151

Feuerbacher, B; Cederbaum, L S ^[1]

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1. Theoretische Chemie, Physikalisch-Chemisches Institut, Universitaet Heidelberg, Im Neuenheimer Feld 229, D-69120 Heidelberg (Germany)

We develop a direct diagrammatic construction scheme for the inelastic propagator, which describes inelastic scattering processes. Starting from the previously presented 'direct approach' to the inelastic propagator, which involves a higher-order elastic Green's function, we show how one can obtain the inelastic propagator for simple excitations without actually evaluating all the diagrams for the higher-order Green's function. The three cases where either the target molecule itself or its cation or anion is a closed-shell system are discussed. A generalization of the method to obtaining inelastic propagators between higher excitations is briefly addressed.

• OSTI ID: 20718151
• Journal Information: Physical Review. A, Journal Name: Physical Review. A Journal Issue: 2 Vol. 72; ISSN 1050-2947; ISSN PLRAAN
• Country of Publication: United States
• Language: English

Related Subjects

74 ATOMIC AND MOLECULAR PHYSICS
ANIONS
CATIONS
ELECTRON-MOLECULE COLLISIONS
ELECTRONS
EXCITATION
EXCITED STATES
GREEN FUNCTION
INELASTIC SCATTERING
MOLECULES
PROPAGATOR