MBF: MOLSCAT 2020, BOUND, and FIELD for atomic and molecular collisions
Abstract
MOLSCAT, which supercedes MOLSCAT version 14 (ascl:1206.004), performs non-reactive quantum scattering calculations for atomic and molecular collisions using coupled-channel methods. Simple atom-molecule and molecule-molecule collision types are coded internally and additional ones may be handled with plug-in routines. Plug-in routines may include external magnetic, electric or photon fields (and combinations of them).
The package also includes BOUND, which performs calculations of bound-state energies in weakly bound atomic and molecular systems using coupled-channel methods, and FIELD, a development of BOUND that locates values of external fields at which a bound state exists with a specified energy. Though the three programs have different applications, they use closely related methods, share many subroutines, and are released with a single code base.- Publication:
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Astrophysics Source Code Library
- Pub Date:
- October 2020
- Bibcode:
- 2020ascl.soft10001H
- Keywords:
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- Software;
- NASA