Recent Changes - Search:

edit SideBar

Main /

First-order Property Calculations

input and output for the calculation of first-order properties at RHF-SCF level
input and output for the calculation of first-order properties at RHF-MP2 level
input and output for the calculation of first-order properties at RHF-CCSD(T) level
input and output for the calculation of first-order properties at RHF-CCSD level without consideration of orbital relaxation

input and output for the calculation of first-order properties at RHF-CCSD(T) level using the CC module xecc and AO-based algorithms (intended for large-scale calculations)
Edit - History - Print - Recent Changes - Search
Page last modified on January 07, 2023, at 02:36 PM
CFOUR is partially supported by the U.S. National Science Foundation.