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Space-time contours to treat intense field-dressed molecular states

Source: J. Chem. Phys. 132, 034303 (2010); doi:10.1063/1.3282333

Published 15 January 2010

KEYWORDS and PACS
Keywords
PACS
  • 82.50.Hp
    Chemical processes caused by visible and UV light
  • 82.20.Ej
    Quantum theory of reaction cross section in chemical kinetics
  • YEAR: 2010
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PUBLICATION DATA
ISSN:
1553-9601 (online)
Publisher:
AIP is a member of CrossRef AIP
Amit K. Paul,1 Satrajit Adhikari,1 and Michael Baer2
1Department of Physical Chemistry, Indian Association for Cultivation of Science, Jadavpur, Kolkata 700 032, India
2The Fritz Haber Research Center for Molecular Dynamics, The Hebrew University of Jerusalem, Jerusalem 91904, Israel
In this article we consider a molecular system exposed to an intense short-pulsed external field. It is a continuation of a previous publication [A. K. Paul, S. Adhikari, D. Mukhopadhyay et al., J. Phys. Chem. A 113, 7331 (2009)] in which a theory is presented that treats quantum effects due to nonclassical photon states (known also as Fock states). Since these states became recently a subject of intense experimental efforts we thought that they can be treated properly within the existing quantum formulation of dynamical processes. This was achieved by incorporating them in the Born–Oppenheimer (BO) treatment with time-dependent coefficients. The extension of the BO treatment to include the Fock states results in a formidable enhancement in numerical efforts expressed, in particular, in a significant increase in CPU time. In the present article we discuss an approach that yields an efficient and reliable approximation with only negligible losses in accuracy. The approximation is tested in detail for the dissociation process of H<sub>2</sub><sup>+</sup> as caused by a laser field. ©2010 American Institute of Physics
History: Received 15 October 2009; accepted 11 December 2009; published 15 January 2010
Permalink: http://link.aip.org/link/?JCPSA6/132/034303/1

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