Scars at the edge of the transition from order to chaos in the isomerizing molecular systems LiNC-LiCN and HCN-HNC, and HO2.
Correlation diagrams of energy levels using ℏ as the varying parameter have proven very useful in the characterization of quantum vibrational dynamics of small polyatomic molecules, specially in relation to the transition from order to chaos. In this paper, we present calculations of such correlation diagrams for three molecular systems with very different characteristics, which can be traced down to the topology of their potential energy surfaces. By studying the broad avoided crossings existing in the diagrams, we show that the transition from regular to irregular states always corresponds to a frontier formed by scarred states.
Arranz
F J
FJ
Escuela Técnica Superior de Ingenieros Agrónomos, Universidad Politécnica de Madrid, Madrid, Spain.
Seidel
L
L
Giralda
C G
CG
Benito
R M
RM
Borondo
F
F