期刊
PHYSICAL REVIEW A
卷 85, 期 5, 页码 -出版社
AMER PHYSICAL SOC
DOI: 10.1103/PhysRevA.85.052710
关键词
-
资金
- NSF
- Institute for Theoretical Atomic, Molecular, and Optical Physics at Harvard University
- Smithsonian Astrophysical Observatory
It is shown that the atom-molecule collision problem in the presence of an external electric field can be solved using the total angular momentum representation in the body-fixed coordinate frame, leading to a computationally efficient method for ab initio modeling of low-temperature scattering phenomena. Our calculations demonstrate rapid convergence of the cross sections for vibrational and Stark relaxation in He-CaD collisions with the number of total angular momentum states in the basis set, leading to a 5- to 100-fold increase in computational efficiency over the previously used methods based on the fully uncoupled space-fixed representation. These results open up the possibility of carrying out numerically converged quantum scattering calculations on a wide array of atom-molecule collisions and chemical reactions in the presence of electric fields.
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