ISSN:
1432-2234
Keywords:
Many-body perturbation theory
;
Coupled-cluster approach
;
Frequency-dependent polarizabilities
;
Atomic helium
Source:
Springer Online Journal Archives 1860-2000
Topics:
Chemistry and Pharmacology
Notes:
Summary A time-dependent coupled-cluster approach may be employed to describe dynamic processes of many-electron systems. Atomic properties, such as the frequency-dependent polarizability, can be treated as a response of the system described by the coupled-cluster expansion to an external radiation field. The major difficulty in the realization of such a formalism is to deal with dynamic pair functions. The procedure reported here is to simplify the full set of single- and pair-excitation expansion equations to a subset of equations which includes polarization and relaxation effects to all orders and is solved by using a complete set of discrete basis functions. Calculations of excitation energies and frequency-dependent electric dipole polarizabilities for helium are presented. Application of the procedure to calculate photoionization cross sections is discussed.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1007/BF01117415
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