A massively parallel version of the diagonalization section of the the COLUMBUS MRSDCI program system is reported.
Published: April 15, 2021
Citation
Lischka H., H. Dachsel, R. Shepard, and R.J. Harrison. 1995.The Parallelization of a General AB Initio Multireference Configuration Interaction Program - The COLUMBUS Program System. In Parallel Computing in Computational Chemistry. ACS Symposium Series, edited by T.G. Mattson. 75-83. Washington, District Of Columbia:American Chemical Society. PNL-SA-26704. doi:10.1021/bk-1995-0592.ch006