Algebraic variational approach to atomic and molecular photoionization cross sections: Removing the energy dependence from the basis

Journal Article · Wed Jan 01 04:00:00 EST 1997 · Physical Review A

DOI:https://doi.org/10.1103/PhysRevA.55.342· OSTI ID:434303

Rescigno, T N; Orel, A E; McCurdy, C W ^[1]

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1. Physics and Space Technology Directorate, Lawrence Livermore National Laboratory, Livermore, California 94550 (United States)

We describe a variational method for calculating photoionization cross sections from a matrix element of the resolvent operator. Scattering boundary conditions are enforced by expanding the resolvent in a basis of square-integrable (L{sup 2}) and outgoing wave continuum basis functions. By employing several continuum basis functions, with overlaps defined by a suitable analytic continuation, we can, in a single calculation, express the cross section over a continuous range of energies without explicitly resolving the variational equations at each desired energy. The method is illustrated by calculation of the photoionization cross section of atomic Be in the autoionizing region between the 1s{sup 2}2s and 1s{sup 2}2p states of Be{sup +}. {copyright} {ital 1997} {ital The American Physical Society}

• Research Organization: Lawrence Berkeley National Laboratory
• DOE Contract Number: AC03-76SF00098; W-7405-ENG-48
• OSTI ID: 434303
• Journal Information: Physical Review A, Journal Name: Physical Review A Journal Issue: 1 Vol. 55; ISSN 1050-2947; ISSN PLRAAN
• Country of Publication: United States
• Language: English

Related Subjects

66 PHYSICS
AUTOIONIZATION
BERYLLIUM
BERYLLIUM IONS
ENERGY DEPENDENCE
MOLECULES
PHOTOIONIZATION
VARIATIONAL METHODS