期刊
COMPUTER PHYSICS COMMUNICATIONS
卷 179, 期 11, 页码 821-838出版社
ELSEVIER
DOI: 10.1016/j.cpc.2008.07.017
关键词
Atom-molecule scattering; Partial and integral cross sections
We present in this work a new computational code for the quantum calculation of integral cross sections for atom-molecule (linear) scattering processes. The atom is taken to be structurelss while the molecule call be in its singlet, doublet, or triplet Spin states and call be treated as either a rigid rotor or a rovibrational target. All the relevant state-to-state integral cross sections, and their SUMS over final states, can be Calculated with the present code. for which we also describe in detail the various component routines.
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