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Complex quasivibrational energy formalism for intense-field multiphoton and above-threshold dissociation: Complex-scaling Fourier-grid Hamiltonian method

J. Chem. Phys. 94, 7901 (1991); doi:10.1063/1.460125

Issue Date: 15 June 1991

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Shih-I Chu
Department of Chemistry, University of Kansas, Lawrence, Kansas 66045
We present a new complex-scaling Fourier-grid Hamiltonian (CSFGH) method for accurate and efficient determination of laser-induced (multichannel) molecular resonance states without the use of basis set expansions. The method requires neither the computation of potential matrix elements nor the imposition of boundary conditions, and the eigenvectors provide directly the values of the resonance wave functions at the space grid points. The procedure is particularly valuable for excited-state problems where basis set expansion methods face the challenge. The simplicity and usefulness of the CSFGH method is demonstrated by a case study of the intensity-dependent complex quasivibrational energy eigenvalues (ER, −Gamma/2) and eigenvectors associated with multiphoton and above-threshold dissociation of H<sup> + </sup><sub>2</sub> ions in the presence of intense laser fields (I=1012–1014 W/cm2 ). The Journal of Chemical Physics is copyrighted by The American Institute of Physics.
History: Received 9 July 1990; accepted 7 March 1991
Permalink: http://link.aip.org/link/?JCPSA6/94/7901/1
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KEYWORDS and PACS

Keywords
PACS
  • 33.80.Wz
    Molecular spectra and interactions of molecules with photons Photon interactions with molecules Other multiphoton processes
  • YEAR: 1990-91

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ISSN:
0021-9606 (print)   1089-7690 (online)
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REFERENCES (25)
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