Journal
PHYSICAL REVIEW A
Volume 75, Issue 4, Pages -Publisher
AMER PHYSICAL SOC
DOI: 10.1103/PhysRevA.75.041401
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When molecules are driven by intense laser fields linearly polarized along the internuclear axis, their ionization rate vs the internuclear separation R is known to have a maximum at some critical intermediate separation R-c. We show that such a maximum should occur only in molecules whose highest occupied molecular orbitals (HOMOs) are such that the electron cloud is concentrated along the internuclear axis (i.e., sigma-type HOMOs). For molecular systems whose HOMO symmetry prevents electron probability distribution along this axis, we find that the ionization rate increases monotonically with increasing R until saturation occurs. In other words, for such molecular systems, there is no critical R-c at which molecular ionization is maximum.
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