Speaker
Prof.
Alain Joye
(Institut Fourier, Universite de Grenoble)
Description
We propose an alternative to the usual time--independent Born--Oppenheimer
approximation that is specifically designed to describe molecules with
Hydrogen bonds. In our approach, the masses of the Hydrogen nuclei are scaled
differently from those of the heavier nuclei, and we employ
a specialized form for the electron energy level surface.
Consequently, anharmonic effects play a role in the leading order
calculations of vibrational levels.
Author
Prof.
Alain Joye
(Institut Fourier, Universite de Grenoble)
Co-author
George Hagedorn
(Virginia Tech, Blacksburg, VA, USA)
