ASPIN: An all spin scattering code for atom–molecule rovibrationally inelastic cross sections
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http://doi.org/10.17632/cxg62pgr2y.1
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Abstract
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 structureless while the molecule can be in its singlet, doublet, or triplet spin states and can 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 ...
Title of program: ASPIN
Catalogue Id: AEBO_v1_0
Nature of problem
Scattering of a diatomic molecule in its 1 Σ, 2 Σ, or 3 Σ spin states with an atom in its 1 S state. Partial and integral cross sections.
Versions of this program held in the CPC repository in Mendeley Data
AEBO_v1_0; ASPIN; 10.1016/j.cpc.2008.07.017
This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
本篇论文中，我们提出了一种新的计算代码，用于量子计算原子-分子（线性）散射过程中的积分截面。在此，原子被视为无结构的，而分子可以处于单重态、双重态或三重态自旋状态，并可被视为刚体转子或转振动靶。利用本代码，可以计算所有相关的状态到状态积分截面及其对最终状态的求和，相关内容亦将在...
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