Details
| Original language | English |
|---|---|
| Article number | 063421 |
| Journal | Physical Review A - Atomic, Molecular, and Optical Physics |
| Volume | 81 |
| Issue number | 6 |
| Publication status | Published - 24 Jun 2010 |
Abstract
The multiconfiguration time-dependent Hartree approach is applied to study the electron-nuclear correlation in the dynamics of molecules subject to strong external laser fields, using the example of a model hydrogen molecular ion. The ground state of the system is well described by as few as two single-particle functions per degree of freedom. A significantly larger but moderate number of configurations is required to predict laser-induced fragmentation probabilities and high-order harmonic generation spectra accurately, showing that the correlation between electronic and nuclear degree of freedom is strongly increased by the presence of the laser field.
ASJC Scopus subject areas
- Physics and Astronomy(all)
- Atomic and Molecular Physics, and Optics
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In: Physical Review A - Atomic, Molecular, and Optical Physics, Vol. 81, No. 6, 063421, 24.06.2010.
Research output: Contribution to journal › Article › Research › peer review
}
TY - JOUR
T1 - Multiconfiguration time-dependent Hartree approach for electron-nuclear correlation in strong laser fields
AU - Jhala, Chirag
AU - Lein, Manfred
N1 - Copyright: Copyright 2010 Elsevier B.V., All rights reserved.
PY - 2010/6/24
Y1 - 2010/6/24
N2 - The multiconfiguration time-dependent Hartree approach is applied to study the electron-nuclear correlation in the dynamics of molecules subject to strong external laser fields, using the example of a model hydrogen molecular ion. The ground state of the system is well described by as few as two single-particle functions per degree of freedom. A significantly larger but moderate number of configurations is required to predict laser-induced fragmentation probabilities and high-order harmonic generation spectra accurately, showing that the correlation between electronic and nuclear degree of freedom is strongly increased by the presence of the laser field.
AB - The multiconfiguration time-dependent Hartree approach is applied to study the electron-nuclear correlation in the dynamics of molecules subject to strong external laser fields, using the example of a model hydrogen molecular ion. The ground state of the system is well described by as few as two single-particle functions per degree of freedom. A significantly larger but moderate number of configurations is required to predict laser-induced fragmentation probabilities and high-order harmonic generation spectra accurately, showing that the correlation between electronic and nuclear degree of freedom is strongly increased by the presence of the laser field.
UR - http://www.scopus.com/inward/record.url?scp=77954183571&partnerID=8YFLogxK
U2 - 10.1103/PhysRevA.81.063421
DO - 10.1103/PhysRevA.81.063421
M3 - Article
AN - SCOPUS:77954183571
VL - 81
JO - Physical Review A - Atomic, Molecular, and Optical Physics
JF - Physical Review A - Atomic, Molecular, and Optical Physics
SN - 1050-2947
IS - 6
M1 - 063421
ER -