ISSN:
1432-2234
Keywords:
Excitation energies
;
Green's functions
Source:
Springer Online Journal Archives 1860-2000
Topics:
Chemistry and Pharmacology
Notes:
Abstract The Green's function method for the calculation of vertical excitation energies is adapted to the CNDO and INDO approximations by introducing an effective interaction into the irreducible vertex part. The computational scheme is explicitly developed for closed-shell molecules and applied to H2O, H2CO, HCOOH, HCONH2.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1007/BF00554103
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