8 citations · 11 across the 4 of their papers we have counts for
4 papers
Accurate thermochemistry of covalent and ionic solids from spin-component-scaled MP2
Tamar Goldzak, Xiao Wang, Hong-Zhou Ye +1
We study the performance of spin-component-scaled second-order Møller-Plesset perturbation theory (SCS-MP2) for the prediction of the lattice constant, bulk modulus, and cohesive e…
Linear free energy relationships in electrostatic catalysis
Norah M. Hoffmann, Xiao Wang, Timothy C. Berkelbach
The use of electric fields to modify chemical reactions is a promising, emerging technique in catalysis. However, there exist few guiding principles, and rational design requires a…
Absorption Spectra of Solids from Periodic Equation-of-Motion Coupled-Cluster Theory
Xiao Wang, Timothy C. Berkelbach
We present ab initio absorption spectra of six three-dimensional semiconductors and insulators calculated using Gaussian-based periodic equation-of-motion coupled-cluster theory wi…
Excitons in solids from periodic equation-of-motion coupled-cluster theory
Xiao Wang, Timothy C. Berkelbach
We present an ab initio study of electronically excited states of three-dimensional solids using Gaussian-based periodic equation-of-motion coupled-cluster theory with single and d…