Analytical gradients for MP2, double hybrid functionals, and TD‐DFT with polarizable embedding described by fluctuating charges

Publisher: John Wiley & Sons Inc

E-ISSN: 1096-987x|36|31|2271-2290

ISSN: 0192-8651

Source: JOURNAL OF COMPUTATIONAL CHEMISTRY, Vol.36, Iss.31, 2015-12, pp. : 2271-2290

Disclaimer: Any content in publications that violate the sovereignty, the constitution or regulations of the PRC is not accepted or approved by CNPIEC.

Previous Menu Next

Abstract