Extrapolation of High-Order Correlation Energies: The WMS Model

Phys. Chem. Chem. Phys., 2018, Accepted Manuscript DOI: 10.1039/C8CP04973D, PaperYan Zhao, Lixue Xia, Xiaobin Liao, Qiu He, Maria X Zhao, Donald G. Truhlar We have developed two new composite model chemistry methods (WM-1 and WM 2) with three characteristics: (1) an extrapolation scheme to obtain the CCSD(T)/CBS valence correlation energy with the affordability... The content of this RSS Feed (c) The Royal Society of Chemistry

Source: RSC - Phys. Chem. Chem. Phys. latest articles - October 19, 2018 Category: Chemistry Authors: Yan Zhao Source Type: research