Electron correlation of onedimensional H{sub 2} in intense laser fields: Timedependent extended HartreeFock and timedependent densityfunctionaltheory approaches
Abstract
Ionization and highorder harmonic generation of the onedimensional (1D) H{sub 2} molecule in intense ultrashort laser fields are investigated using several current approximations for electron dynamics. Single and doubleionization probabilities are compared with exact results. It is found that for the ground state X {sup 1}{sigma}{sub g}{sup +}, timedependent extended HartreeFock gives generally comparable results except in the plateau region. The adiabatic local density approximation and timedependent optimized effective potential with selfinteraction correction (TDKLI) methods underestimate the ionization probabilities with no plateau and knee for double ionization contrary to the exact results. For the triplet excited state A {sup 3}{sigma}{sub u}{sup +}, where exchange is important, the TDKLI results agree well with the exact results. The exact doubleionization probabilities suggest the need for accurate paircorrelation functions.
 Authors:

 Laboratoire de Chimie Theorique, Faculte des Sciences, Universite de Sherbrooke, QC J1K 2R1 (Canada)
 Publication Date:
 OSTI Identifier:
 20786914
 Resource Type:
 Journal Article
 Journal Name:
 Physical Review. A
 Additional Journal Information:
 Journal Volume: 73; Journal Issue: 3; Other Information: DOI: 10.1103/PhysRevA.73.032708; (c) 2006 The American Physical Society; Country of input: International Atomic Energy Agency (IAEA); Journal ID: ISSN 10502947
 Country of Publication:
 United States
 Language:
 English
 Subject:
 74 ATOMIC AND MOLECULAR PHYSICS; CORRECTIONS; CORRELATION FUNCTIONS; DENSITY FUNCTIONAL METHOD; ELECTRON CORRELATION; ELECTRONS; EXCITED STATES; GROUND STATES; HARMONIC GENERATION; HARTREEFOCK METHOD; HYDROGEN; IONIZATION POTENTIAL; LASER RADIATION; MOLECULES; ONEDIMENSIONAL CALCULATIONS; PHOTOIONIZATION; PHOTONMOLECULE COLLISIONS; PROBABILITY; TIME DEPENDENCE; TRIPLETS
Citation Formats
Nguyen, Nam A, and Bandrauk, Andre D. Electron correlation of onedimensional H{sub 2} in intense laser fields: Timedependent extended HartreeFock and timedependent densityfunctionaltheory approaches. United States: N. p., 2006.
Web. doi:10.1103/PHYSREVA.73.0.
Nguyen, Nam A, & Bandrauk, Andre D. Electron correlation of onedimensional H{sub 2} in intense laser fields: Timedependent extended HartreeFock and timedependent densityfunctionaltheory approaches. United States. https://doi.org/10.1103/PHYSREVA.73.0
Nguyen, Nam A, and Bandrauk, Andre D. Wed .
"Electron correlation of onedimensional H{sub 2} in intense laser fields: Timedependent extended HartreeFock and timedependent densityfunctionaltheory approaches". United States. https://doi.org/10.1103/PHYSREVA.73.0.
@article{osti_20786914,
title = {Electron correlation of onedimensional H{sub 2} in intense laser fields: Timedependent extended HartreeFock and timedependent densityfunctionaltheory approaches},
author = {Nguyen, Nam A and Bandrauk, Andre D},
abstractNote = {Ionization and highorder harmonic generation of the onedimensional (1D) H{sub 2} molecule in intense ultrashort laser fields are investigated using several current approximations for electron dynamics. Single and doubleionization probabilities are compared with exact results. It is found that for the ground state X {sup 1}{sigma}{sub g}{sup +}, timedependent extended HartreeFock gives generally comparable results except in the plateau region. The adiabatic local density approximation and timedependent optimized effective potential with selfinteraction correction (TDKLI) methods underestimate the ionization probabilities with no plateau and knee for double ionization contrary to the exact results. For the triplet excited state A {sup 3}{sigma}{sub u}{sup +}, where exchange is important, the TDKLI results agree well with the exact results. The exact doubleionization probabilities suggest the need for accurate paircorrelation functions.},
doi = {10.1103/PHYSREVA.73.0},
url = {https://www.osti.gov/biblio/20786914},
journal = {Physical Review. A},
issn = {10502947},
number = 3,
volume = 73,
place = {United States},
year = {2006},
month = {3}
}