Energy decomposition is a valuable tool for understanding the results of a quantum chemical calculation and connecting them with the genuine chemical concepts. We are summarizing here some of our results obtained in the last decade, and a new scheme is proposed which is capable to solve the problems which previously remained open.
|Journal||EPJ Web of Conferences|
|Publication status||Published - Dec 1 2012|
|Event||From Quantum Chemistry to Astrophysics: A Tribute to Pierre Valiron, QCA 2010 - Grenoble, France|
Duration: Oct 5 2010 → Oct 5 2010
ASJC Scopus subject areas
- Physics and Astronomy(all)