Hamiltonian for a symmetric-top molecule in an electric field |
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| Institution: | 1. School of Psychology, University of Queensland, Brisbane, Queensland, Australia;2. Department of Psychology and Neuroscience, University of Colorado Boulder, Boulder, CO, USA;3. Institute for Behavioral Genetics, University of Colorado Boulder, Boulder, CO, USA;4. QIMR Berghofer Medical Research Institute, Brisbane, Queensland, Australia;1. Combustion Research Facility, Sandia National Laboratories, Livermore, CA 94551, USA;2. Thermodynamics and Thermal Process Engineering, Brandenburg University of Technology, Siemens-Halske-Ring 8, D-03046 Cottbus, Germany;3. Clean Combustion Research Center, King Abdullah University of Science and Technology, Thuwal 23955-6900, Saudi Arabia;4. School of Automotive Engineering, Wuhan University of Technology, Wuhan 430070, PR China;5. GE Power;1. Chemical Sciences and Engineering Division, Argonne National Laboratory, 9700 S. Cass Avenue, Argonne, IL 60439, United States;2. Combustion Research Facility, Sandia National Laboratories, 70 East Avenue, Livermore, CA 94550, United States;3. School of Chemistry and Biochemistry, University of Colorado Boulder, Boulder, CO 80309, United States |
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| Abstract: | A method is presented by which one can systematically derive the types of terms, with regard to rotational as well as electric-field dependence and vibronic selection rules, that can occur in the effective Hamiltonian for a symmetric-top molecule placed in a homogeneous electric field. Rotation and molecular point groups somewhat modified from the ordinary ones are used for the derivation. The method is applied to the case of a C3v molecule as an example, yielding a list of the operators occurring in the effective Hamiltonian with an electric-field dependence up to the second order. |
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