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This more than 10 years old Fortran-90 code is a time dependent molecular dynamics simulation of a gas of diatomic molecules (several molecular parameters, such as mass, bond length and force parameters may be chosen). The initial conditions that might be chosen include, but not limited to: laser pulse rotational kick, molecular centrifuge, etc.

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Shikshokio/laser_diatom_md

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This more than 10 years old Fortran-90 code is a time dependent molecular dynamics simulation of a gas of diatomic molecules (several molecular parameters, such as mass, bond length and force parameters may be chosen). The initial conditions that might be chosen include, but not limited to: laser pulse rotational kick, molecular centrifuge (uni-directionally rotating molecules oriented in a specific plane), rotationally hot molecules (Boltzmann - distributed) etc.

Several papers I know of were published with results created using this Fortran code:

  1. Collisional dynamics in a gas of molecular super-rotors, by Yuri Khodorkovsky, Uri Steinitz, Jean-Michel Hartmann & Ilya Sh. Averbukh, Nat Commun 6, 7791 (2015). https://doi.org/10.1038/ncomms8791
  2. Dynamics and Hydrodynamics of Molecular Superrotors, by Uri Steinitz, Yuri Khodorkovsky, Jean-Michel Hartmann, and Ilya Sh. Averbukh, ChemPhysChem, 17, 1 – 17 (2016). https://doi.org/10.1002/cphc.201600508

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This more than 10 years old Fortran-90 code is a time dependent molecular dynamics simulation of a gas of diatomic molecules (several molecular parameters, such as mass, bond length and force parameters may be chosen). The initial conditions that might be chosen include, but not limited to: laser pulse rotational kick, molecular centrifuge, etc.

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