NHSE Software Catalog

MOLSCAT

url

http://molscat.giss.nasa.gov:80/MOLSCAT/

version

14

abstract

A code for quantum mechanical (coupled channel) solution of the
non-reactive molecular scattering problem. Code is implemented
for various types of collision partners. Several approximate methods
including the Coupled States and Infinite Order Sudden
approximations are provided. The code is in near standard
FORTRAN 77 and has been ported to a large number of platforms.
The source code supplied here is currently running at this site on an
IBM RS/6000 and also on IBM and compatible mainframes. It
should work on most other machines; for the Cray, however,
modifications to run in single precision should be made.

description

http://molscat.giss.nasa.gov:80/MOLSCAT/

reference

http://molscat.giss.nasa.gov:80/MOLSCAT/

contact

Jeremy M. Hutson / J.M.Hutson@durham.ac.uk

contact

Jeremy M. Hutson / J.M.Hutson@durham.ac.uk

keywords

quantum mechanics; molecular scattering; application program

environment

FORTRAN 77

application

quantum mechanics, molecular scattering