User Manual for MOLSCAT, BOUND and FIELD, Version 2025.0: programs for quantum scattering properties and bound states of interacting pairs of atoms and molecules
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arXiv
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| Hauptverfasser: | , |
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| Format: | Preprint |
| Veröffentlicht: |
2019
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| _version_ | 1866915613483466752 |
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| author | Hutson, Jeremy M. Sueur, C. Ruth Le |
| author_facet | Hutson, Jeremy M. Sueur, C. Ruth Le |
| contents | 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 |
| format | Preprint |
| id |
arxiv_https___arxiv_org_abs_1903_06755 |
| institution | arXiv |
| publishDate | 2019 |
| record_format | arxiv |
| spellingShingle | User Manual for MOLSCAT, BOUND and FIELD, Version 2025.0: programs for quantum scattering properties and bound states of interacting pairs of atoms and molecules Hutson, Jeremy M. Sueur, C. Ruth Le Chemical Physics Quantum Gases Atomic and Molecular Clusters Atomic Physics 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 |
| title | User Manual for MOLSCAT, BOUND and FIELD, Version 2025.0: programs for quantum scattering properties and bound states of interacting pairs of atoms and molecules |
| topic | Chemical Physics Quantum Gases Atomic and Molecular Clusters Atomic Physics |
| url | https://arxiv.org/abs/1903.06755 |