Valence and Rydberg states of CH3Cl: a MR-CISD study

In this work ten singlet and nine triplet states are studied through multi-reference configuration interactions with singles and doubles (MR-CISD), including Davidson extensivity correction (MR-CISD+Q). For the first time the excited states whose energies are larger than ∼9.5 eV have been calculated...

Full description

Saved in:
Bibliographic Details
Main Authors de Medeiros, Vanessa C, do Monte, Silmar A, Ventura, Elizete
Format Journal Article
LanguageEnglish
Published 01.01.2014
Online AccessGet full text

Cover

Be the first to leave a comment!
You must be logged in first