ISSN:
0948-5023
Schlagwort(e):
Keywords: Frequency-dependent polarizabilities
;
quasi-one-dimensional systems
;
nonlinear optics
;
coupled Hartree-Fock method
Quelle:
Springer Online Journal Archives 1860-2000
Thema:
Chemie und Pharmazie
Notizen:
Abstract Calculations of frequency-dependent polarizabilities of quasi-one-dimensional systems are reported using the coupled Hartree-Fock method recently developed for polymers. Computations have been performed for infinite model chains of hydrogen and water molecules, respectively. The frequency dispersions applying different basis sets agree very well with theoretical results in the literature both for the chain and the respective molecule. In addition the dynamic polarizabilities of the conjugated periodic systems polyacetylene, polycarbonitrile and polyaziridine have been investigated.
Materialart:
Digitale Medien
URL:
http://dx.doi.org/10.1007/s008940050030
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