SLIMP: Strong laser interaction model package for atoms and molecules

Published: 1 January 2015| Version 1 | DOI: 10.17632/rpj263hsbc.1
Contributors:
Bin Zhang,
Zengxiu Zhao

Description

Abstract We present the SLIMP package, which provides an efficient way for the calculation of strong-field ionization rate and high-order harmonic spectra based on the single active electron approximation. The initial states are taken as single-particle orbitals directly from output files of the general purpose quantum chemistry programs GAMESS, Firefly and Gaussian. For ionization, the molecular Ammosov-Delone-Krainov theory, and both the length gauge and velocity gauge Keldysh-Faisal-Reiss theories ... Title of program: SLIMP Catalogue Id: AEWE_v1_0 Nature of problem In modeling of atoms and molecules subjected to intense laser pulses, there is a general need for the calculation of theoretical models. However, the application of these models requires the effective evaluation of orbital coordinates wavefunction, momentum wavefunction, orbital dipole moment or calculation of orbital integrations. This package provides an efficient way for these calculations directly from the output files of the widely used GAMESS, Firefly and Gaussian programs. Versions of this program held in the CPC repository in Mendeley Data AEWE_v1_0; SLIMP; 10.1016/j.cpc.2015.02.031 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018)

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