Search:

# MODROPA

MODROPA The alpha molecular spin-orbitals which will be dropped prior to the electron correlation calculation. The orbitals are indexed by eigenvalue, with the smallest eigenvalue (most strongly bound) being 1 and the largest eigenvalue equal to the number of basis functions.

Data type: integer. Dimension: NUMDROPA (see below). Written by: xjoda.

Page last modified on June 10, 2011, at 02:58 AM
This page has been visited 120 times since April 2020.
CFOUR is partially supported by the U.S. National Science Foundation.