Semiclassical basis sets for the computation of molecular vibrational states

Abstract

In this paper, we extend a method recently reported [Phys. Rev. E 87, 042921 (2012)] for the calculation of the eigestates of classically highly chaotic systems to cases of mixed dynamics, i.e. those presenting regular and irregular motions at the same energy. The efficiency of the method, which is based on the use of a semiclassical basis set of localized wave functions, is demonstrated by applying it to the determination of the vibrational states of a realistic molecular system, namely the LiCN molecule.

22 pages, 14 figures

References in corpus (6)

• Chaos-driven dynamics in spin-orbit coupled atomic gases
• Scarring by homoclinic and heteroclinic orbits
• Scarring in open quantum systems
• Selective amplification of scars in a chaotic optical fiber
• Observation of resonance-assisted dynamical tunneling in an asymmetric microcavity
• Using basis sets of scar functions

Cited by in corpus (7)

• Exact distribution of spacing ratios for random and localized states in quantum chaotic systems
• The short periodic orbit method for excited chaotic eigenfunctions
• Deep learning methods for the computation of vibrational wavefunctions
• Using correlation diagrams to study the vibrational spectrum of highly nonlinear floppy molecules: The K-CN case
• Correspondence between classical and quantum resonances
• Scarring in open chaotic systems: The local density of states
• Identification of the invariant manifolds of the LiCN molecule using Lagrangian descriptors