2 Questions 6 Answers 0 Followers
Questions related from Maryam D.Jahromi
Hello.. I want to scan a bond length using CAM-B3LYP and compare the result with CCSD(T) method. The basis set used for both methods are the same(6-31+G(df)). Every thing was good in the case of...
07 July 2016 9,653 7 View
How we can calculate the spin-orbit coupling? I need to know which package is more suitable for spin-orbit coupling calculation, Gaussian package or GAMESS package or anything else suggestion?
14 June 2015 6,313 9 View