The SC-Corr Code Package is a FORTRAN-based program that contains various ways of computing the real-time correlation function in the semiclassical initial value representation.
The extension of MQC-IVR to nonadiabatic model systems is now available in the file 'NA_MQCIVR.zip'. This is soon to be included in the SC-CORR Code Package.
Created by Matthew S. Church.
See the following references for SC-IVR and MQC-IVR theory:
-M. S. Church, S. V. Antipov, and N. Ananth. J. Chem. Phys. 146, 234104 (2017) -S. V. Antipov, Z. Ye, and N. Ananth. J. Chem. Phys. 142, 184102 (2015) -W. H. Miller, J. Phys. Chem. A 105, 2942 (2001)
Disclaimer: The code contained in this package has been written, edited, and used by members of the Ananth group. It has not been formally reviewed, nor published, nor are there copyrights. Bugs and errors may be present.