Effect of Orbital Symmetry on the Orientation Dependence of Strong Field Tunnelling Ionization of Nonlinear Polyatomic Molecules
In the strong field molecular tunnelling ionization theory (Tong X M 2002 Phys. Rev. A 66 033402), the ionization rate depends on structure parameters of molecules which can be extracted from molecular wavefunctions in the asymptotic region. By using molecular orbitals obtained from standard quantum chemistry packages, we extract these parameters for several selected nonlinear polyatomic molecules. We show that the symmetry properties of the molecular orbital are reflected vividly in the angle-dependent tunnelling ionization rates. The structure parameters for 17 nonlinear molecules have been calculated and tabulated for future applications.
S. Zhao et al., "Effect of Orbital Symmetry on the Orientation Dependence of Strong Field Tunnelling Ionization of Nonlinear Polyatomic Molecules," Journal of Physics B: Atomic, Molecular and Optical Physics, vol. 44, no. 3, IOP Publishing Ltd., Feb 2011.
The definitive version is available at https://doi.org/10.1088/0953-4075/44/3/035601
Keywords and Phrases
Angle-Dependent; Future Applications; Ionization Rates; Molecular Tunnelling; Nonlinear Molecules; Orbital Symmetries; Orientation Dependence; Polyatomic Molecules; Strong Field; Structure Parameter; Symmetry Properties, Chemical Bonds; Molecular Modeling; Molecular Orbitals; Molecules, Ionization
International Standard Serial Number (ISSN)
Article - Journal
© 2011 IOP Publishing Ltd., All rights reserved.