Hibridon: A program suite for time-independent non-reactive quantum scattering calculations.

Comput. Phys. Commun.(2023)

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摘要
Hibridon is a program package to solve the close-coupled equations which occur in the time independent quantum treatment of inelastic atomic and molecular collisions. Gas-phase scattering, photodissociation, collisions of atoms and/or molecules with flat surfaces, and bound states of weakly-bound complexes can be treated. From calculation of the S matrix, integral and differential cross sections, stereodynamic (alignment and steric asymmetry) cross sections, as well as more specialized quantities, such as transport and tensor cross sections, and cross sections between hyperfine levels, and photodissociation amplitudes can be obtained. The program is capable of treating closed-shell systems where the nuclear motion takes place on a single Born-Oppenheimer potential as well as open-shell systems for which the nuclear motion can evolve on several coupled electronic (Born-Oppenheimer) potentials.
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关键词
Inelastic atomic and molecular collisions and/or molecular photodissociation,Time-independent quantum scattering calculations,S matrix,Cross sections,Weakly-bound complexes
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