Recent Changes - Search:

edit SideBar

NMR Chemical Shift Calculations

input and output for HF-SCF calculation
input and output for MP2 calculation
input and output for CCSD calculation
input and output for CCSD(T) calculation
input and output for CCSDT calculation

input and output for a large-scale CCSD(T) calculation using AO-based algorithms, the module xecc and a sequential treatment of the magnetic-field perturbation

input and output for a CCSD(T) calculation with frozen-core orbitals

Edit - History - Print - Recent Changes - Search
Page last modified on December 01, 2010, at 10:40 AM
This page has been visited 50 times since December 2010.
CFOUR is partially supported by the U.S. National Science Foundation.