ISSN:
1432-2234
Schlagwort(e):
Dynamic polarizabilities
;
Rydberg states
;
Open shell ions
Quelle:
Springer Online Journal Archives 1860-2000
Thema:
Chemie und Pharmazie
Notizen:
Abstract Time dependent coupled Hartree-Fock (TDCHF) theory is applied to calculate frequency dependent polarizabilities, transition energies, oscillator strengths and effective quantum numbers of several excited states of the open shell ions Al, Si+, P2+, S3+, Cl4+, Ar5+, Cl and Ar+ in the 2P state within and beyond the normal dispersion region. The Roothaan formalism has been adopted to deal with the open shell problem. The excitation energies are extracted from the positions of the poles of an appropriate functional. Analytic representations of the singly excited Rydberg states have been found. The results obtained compare well with spectroscopic and other elaborate theoretical data wherever available. Inner shell excitations have been found for the first time within TDCHF theory.
Materialart:
Digitale Medien
URL:
http://dx.doi.org/10.1007/BF00528015
