2019/03/15 by Jeremy M. Hutson, Hutson, Jeremy M., C. Ruth Le Sueur +1
Chemistry · Physics and Astronomy · #Atomic Physics (physics.atom-ph) #Atomic and Molecular Clusters (physics.atm-clus) #Atomic and Subatomic Physics Research #Chemical Physics (physics.chem-ph) #Cold Atom Physics and Bose-Einstein Condensates #FOS: Physical sciences #Quantum Gases (cond-mat.quant-gas) #Scientific Research and Discoveries #Spectroscopy and Laser Applications
paper · pdf · doi:10.48550/arxiv.1903.06755
openalex publication_date 2019/03/15 · openalex created_date 2025/10/10 · openalex updated_date 2026/07/28
MOLSCAT is a general-purpose package for performing 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). Simple interaction potentials are coded internally and more complicated ones may be handled with plug-in routines. BOUND is a general-purpose package for performing calculations of bound-state energies in weakly bound atomic and molecular systems using coupled-channel methods. It solves the same sets of coupled equations as MOLSCAT, and can use the same plug-in routines if desired, but with different boundary conditions. FIELD is a development of BOUND that locates external fields at which a bound state exists with a specified energy. One important use is to locate the positions of magnetically tunable Feshbach resonance positions in ultracold collisions. The program source code is available from https://github.com/molscat/molscat