ISSN:
1432-2234
Keywords:
Green's functions
;
VIP Calculation
Source:
Springer Online Journal Archives 1860-2000
Topics:
Chemistry and Pharmacology
Notes:
Abstract By introducing a CNDO adapted approximation into an appropriate irreducible interaction part a simple formula for calculation of vertical ionization potentials (VIP's) is derived. The method is applied to the molecules F2, HF, C2F4, CH2F2, BF3, CH3F, CF4.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1007/BF00634786
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