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AbstractAbstract
[en] A quantum mechanical study of collision induced electronic-to-rotational energy transfer in the fluorine-para-hydrogen system (F+H2) is reported. The three potential energy surfaces of the system, constrained to lie in a fixed plane, are obtained by the diatomics-in-molecules approach, and close-coupling calculations are performed in a diabatic representation. An enhancement of rotationally inelastic (compared to rotationally elastic) transitions is observed when fluorine makes a transition from its upper to its lower spin-orbit state. (Auth.)
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Journal Article
Journal
Chemical Physics Letters; v. 43(2); p. 391-393
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ANGULAR MOMENTUM, ATOM-MOLECULE COLLISIONS, BOUNDARY CONDITIONS, EIGENFUNCTIONS, ENERGY TRANSFER, ENERGY-LEVEL TRANSITIONS, FLUORINE, GROUND STATES, HAMILTONIANS, HYDROGEN, KINETIC ENERGY, L-S COUPLING, MATRIX ELEMENTS, POTENTIAL ENERGY, QUANTUM MECHANICS, QUANTUM NUMBERS, ROTATIONAL STATES, S MATRIX, SCHROEDINGER EQUATION, VIBRATIONAL STATES, WAVE FUNCTIONS
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