Time-dependent studies of single and multiple photoionization of H{sub 2}{sup +}

Journal Article · Mon Dec 01 00:00:00 EST 2003 · Physical Review. A

DOI:https://doi.org/10.1103/PhysRevA.68.063413· OSTI ID:20640508

Colgan, J; Pindzola, M S; Robicheaux, F ^[1]

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1. Department of Physics, Auburn University, Auburn, Alabama 36849 (United States)

A time-dependent method is used to study the photoionization of the simplest one-electron molecule, H{sub 2}{sup +}. We use the variational principle to solve the time-dependent Schroedinger equation for H{sub 2}{sup +} in spherical coordinates (r,{theta}) centered on the center of mass of the H{sub 2}{sup +} system in a time-varying electromagnetic field, in the fixed-nuclei approximation. Bound and continuum states of H{sub 2}{sup +} are obtained by diagonalizing the two-dimensional Hamiltonian for H{sub 2}{sup +} on a uniform lattice. Two different algorithms for the time propagation of the Schroedinger equation are described, the first an explicit time propagator involving matrix multiplication and the second an implicit time propagator involving matrix inversion. Single-photoionization cross sections for H{sub 2}{sup +} are presented for the cases where the laser field is oriented both parallel and perpendicular to the internuclear axis. Excellent agreement is found between the present calculations and previous work. Two- and three-photon ionization cross sections are also presented for the cases where the laser field is oriented both parallel and perpendicular to the internuclear axis. Comparison with previous work is available only for the parallel orientation case where good agreement is found with a previous time-independent calculation.

• OSTI ID: 20640508
• Journal Information: Physical Review. A, Vol. 68, Issue 6; Other Information: DOI: 10.1103/PhysRevA.68.063413; (c) 2003 The American Physical Society; Country of input: International Atomic Energy Agency (IAEA); ISSN 1050-2947
• Country of Publication: United States
• Language: English

Related Subjects

74 ATOMIC AND MOLECULAR PHYSICS
ALGORITHMS
CENTER-OF-MASS SYSTEM
COMPARATIVE EVALUATIONS
CROSS SECTIONS
ELECTROMAGNETIC FIELDS
ELECTRONS
HAMILTONIANS
HYDROGEN IONS 2 PLUS
LASER RADIATION
MOLECULES
ORIENTATION
PHOTOIONIZATION
PHOTON-MOLECULE COLLISIONS
PROPAGATOR
SCHROEDINGER EQUATION
SPHERICAL CONFIGURATION
TIME DEPENDENCE
TWO-DIMENSIONAL CALCULATIONS
VARIATIONAL METHODS