ISSN:
1432-2234
Keywords:
Doubly excited states
;
Excitation energies
;
Effective quantum numbers
Source:
Springer Online Journal Archives 1860-2000
Topics:
Chemistry and Pharmacology
Notes:
Summary Time-dependent perturbation theory has been applied to calculate the doubly excited triplet statesNsns:3Se,Npnp:3De andNdnd:3Ge (N=2, 3, 4,n=N+1, ... ,5) for He, Li+, Be2+ and B3+. A time-dependent harmonic perturbation causes simulataneous excitation of both the electrons with a change of spin state. The doubly excited energy levels have been identified as the poles of an appropriately constructed linearized variational functional with respect to the driving frequency. In addition to the transition energies, effective quantum numbers of these doubly excited states have been calculated and analytic representations of their wave functions are obtained. These are utilized to estimate the Coulomb repulsion term for these states which checks the consistency of the wave functions. These wave functions may also be used for calculating other physical properties of the systems.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1007/BF01132798
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