Recent Changes - Search:

edit SideBar

Recommendations For The Calculation Of Magnetizabilities

Gauge-including atomic orbitals

The use of GIAOS is strongly recommended for the calculation of magnetizabilities and rotational g-tensors in order to ensure (gauge-)origin independence; the use of a single gauge-origin in such calculations cannot be recommended.

Edit - History - Print - Recent Changes - Search
Page last modified on January 15, 2009, at 09:35 PM
CFOUR is partially supported by the U.S. National Science Foundation.