The concept of diabatic basis is examined. The most common methods of building diabatic functions are reported, focussing on those methods which do not presuppose the previous calculation of the dynamic coupling functions.
Adiabatic and Diabatic Basis Sets in molecular Calculations
CIMIRAGLIA, Renzo
1992
Abstract
The concept of diabatic basis is examined. The most common methods of building diabatic functions are reported, focussing on those methods which do not presuppose the previous calculation of the dynamic coupling functions.File in questo prodotto:
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