Full-dimensional simulation of the laser-induced alignment dynamics of H2He+. (18th August 2017)

• Record Type: Journal Article
• Authors: Szidarovszky, Tamás; Yamanouchi, Kaoru
• Is Part Of: Molecular physics. Volume 115:Number 15/16(2017)
• Page Start: 1916
• Page End: 1926
• Publication Date: 2017-08-18
• Subjects: H2He+ -- molecular alignment -- intense laser physics -- rovibrational wavepacket -- variational nuclear motion computation; Molecules -- Periodicals; Chemistry, Physical and theoretical -- Periodicals; Molécules -- Périodiques; Chimie physique et théorique -- Périodiques; 539.6.05
• DOI: 10.1080/00268976.2017.1297863
• Languages: English
• ISSNs: 0026-8976

Abstract

ABSTRACT: A theoretical approach for simulating the laser-induced alignment dynamics of non-rigid polyatomic molecules is introduced, in which the time-dependent Schrödinger equation (TDSE) is solved by expanding the laser-induced wavepacket with the field-free rovibrational eigenstates of the system. It is shown that not only the exact solution of the TDSE but also its approximated solution can be obtained, depending on the choices of the method for determining the field-free eigenstates. Laser-induced alignment of weakly bound H2 He + is investigated by adopting the present approach with high-accuracy full-dimensional variational calculations of the nuclear dynamics. Abstract :