Vibrational dynamics of the floppy LiNC/LiCN molecular system.
Modern spectroscopical techniques allow the efficient experimental investigation of highly excited vibrational states in molecular systems. On the theoretical side, powerful computational methods have also been developed for the calculation of the corresponding energy levels and wave functions, and their interpretation. In this paper we use a combination of two such methods, namely, the distribution of zeroes in the Husimi function and energy-level correlation diagrams, to discuss a classification scheme, for the lowest hundred vibrational levels of the LiNC/LiCN floppy molecular system, based on their dynamical characteristics.
Arranz
F J
FJ
Departamento de Física, Escuela Técnica Superior de Inqenieros Agrónomos, Universidad Politécnica de Madrid, 28040 Madrid, Spain. fjarranz@fis.etsia.upm.es
Benito
R M
RM
Borondo
F
F