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Explicit Hilbert-space representations of atomic and molecular photoabsorption spectra - Computational studies of Stieltjes-Tchebycheff functionsComputational methods are reported for construction of discrete and continuum Schroedinger states in atoms and molecules employing explicit Hilbert space procedures familiar from bound state studies. As theoretical development, the Schroedinger problem of interest is described, the Cauchy-Lanczos bases and orthonormal polynomials used in constructing L-squared Stieltjes-Tchebycheff (ST) approximations to the discrete and continuum states are defined, and certain properties of these functions are indicated. Advantages and limitations of the ST approach to spectral studies relative to more conventional calculations are discussed, and aspects of the approach in single-channel approximations to larger molecules are described. Procedures are indicated for construction of photoejection anisotropies and for performing coupled-channel calculations employing the ST formalism. Finally, explicit descriptive intercomparisons are made of the nature and diagnostic value of ST functions with more conventional scattering functions.
Document ID
19830067608
Acquisition Source
Legacy CDMS
Document Type
Reprint (Version printed in journal)
Authors
Hermann, M. R.
(Indiana University Bloomington, IN, United States)
Langhoff, P. W.
(Max-Planck-Institut fuer Astrophysik Garching, Germany)
Date Acquired
August 11, 2013
Publication Date
October 1, 1983
Publication Information
Publication: Physical Review A - General Physics, 3rd Series
Volume: 28
ISSN: 0556-2791
Subject Category
Atomic And Molecular Physics
Accession Number
83A48826
Distribution Limits
Public
Copyright
Other

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