Recent Changes - Search:

edit SideBar

Examples For The Use Of Additivity Schemes And Basis-set Extrapolations

Single-point energy calculations

input and output for the use of the additivity schemes
input and output for the use of basis-set extrapolations at HF-SCF and CCSD(T)
input and output for the use of basis-set extrapolation at HF-SCF, CCSD(T), and CCSDT
input and output for the use of HF-SCF and CCSD(T) basis-set extrapolation together with core correlation and relativistic corrections

Geometry optimizations

input and output for the use of the additivity scheme
input and output for the use of the basis-set extrapolation at HF-SCF and CCSD(T)

Harmonic frequency calculations

input and output for the use of the additivity scheme

Edit - History - Print - Recent Changes - Search
Page last modified on April 02, 2011, at 08:06 PM
This page has been visited 137 times since December 2010.
CFOUR is partially supported by the U.S. National Science Foundation.