Constricted Variational Density Functional Theory Approach to the Description of Excited States

Top Curr Chem. 2016:368:61-95. doi: 10.1007/128_2014_611.

Authors

Tom Ziegler¹, Mykhaylo Krykunov, Issaka Seidu, Young Choon Park

Affiliation

¹ Department of Chemistry, University of Calgary, Calgary, AB, Canada, T2N1N4, ziegler@ucalgary.ca.

PMID: 25791485
DOI: 10.1007/128_2014_611

Abstract

We review the theoretical foundation of constricted variational density functional theory and illustrate its scope through applications.

Publication types

Research Support, Non-U.S. Gov't