Use of modified smooth exterior scaling method as an absorbing potential and its application

Dhruba J Kalita; Ashish K Gupta

doi:10.1063/1.3558737

Use of modified smooth exterior scaling method as an absorbing potential and its application

J Chem Phys. 2011 Mar 7;134(9):094301. doi: 10.1063/1.3558737.

Authors

Dhruba J Kalita¹, Ashish K Gupta

Affiliation

¹ Department of Chemistry, Indian Institute of Technology, Guwahati 781039, Assam, India.

PMID: 21384963
DOI: 10.1063/1.3558737

Abstract

Here, we propose a new complex path to achieve better absorption during the propagation of a wavepacket. In the proposed modified smooth exterior scaling (SES) method, scaling function, θ(x), has been chosen as a real function rather than complex (as used in a conventional smooth exterior scaling method). It greatly reduces the artificial reflections from the boundary edges. This modified SES method is applied to study the multiphoton dissociation of H(2)(+) in intense laser field. The resonance states are calculated accurately.