ISSN:
0020-7608
Schlagwort(e):
Computational Chemistry and Molecular Modeling
;
Atomic, Molecular and Optical Physics
Quelle:
Wiley InterScience Backfile Collection 1832-2000
Thema:
Chemie und Pharmazie
Notizen:
The self-consistent field (SCF) equations for many-electron systems, suitable within the complex-coordinate method, are derived. The formulation is based on a general bivariational theorem for non-Hermitian operators, with an emphasis on the analytic structure invoked by the complex dilation of the total Hamiltonian. The dilation structure of the resulting SCF equations is stressed and the concomitant analytical properties are discussed. The solutions are classified with respect to these properties, and interpreted in terms of a general form of the symmetry dilemma. The role of the dilated SCF equations for resonance calculations is discussed.
Materialart:
Digitale Medien
URL:
http://dx.doi.org/10.1002/qua.560230111
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