Analytic derivatives for the XYG3 type of doubly hybrid density functionals: Theory, implementation, and assessment

Neil Qiang Su, Igor Ying Zhang, Xin Xu. Analytic derivatives for the XYG3 type of doubly hybrid density functionals: Theory, implementation, and assessment. Journal of Computational Chemistry, 34(20):1759-1774, 2013. [doi]

Abstract

Abstract is missing.