Publikationsdatum:
2011-08-18
Beschreibung:
Computational 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.
Schlagwort(e):
ATOMIC AND MOLECULAR PHYSICS
Materialart:
Physical Review A - General Physics, 3rd Series (ISSN 0556-2791); 28; Oct. 198
Format:
text
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