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Journal of Chemical Theory and Computation|February 22, 2022
Correlation-Consistent Gaussian Basis Sets for Solids Made SimpleHong-Zhou Ye, Timothy C BerkelbachThe Journal of Chemical Physics|April 9, 2021
Fast periodic Gaussian density fitting by range separationHong-Zhou Ye, Timothy C BerkelbachThe Journal of Chemical Physics|October 2, 2021
Tight distance-dependent estimators for screening two-center and three-center short-range Coulomb integrals over Gaussian basis functionsHong-Zhou Ye, Timothy C BerkelbachJournal of Chemical Theory and Computation|October 8, 2024
Periodic Local Coupled-Cluster Theory for Insulators and MetalsHong-Zhou Ye, Timothy C BerkelbachFaraday Discussions|July 25, 2024
Adsorption and vibrational spectroscopy of CO on the surface of MgO from periodic local coupled-cluster theoryHong-Zhou Ye, Timothy C BerkelbachJournal of Chemical Theory and Computation|March 21, 2025
Diabatic States of Charge Transfer with Constrained Charge EquilibrationSohang Kundu, Hong-Zhou Ye, Timothy C BerkelbachJournal of Chemical Theory and Computation|August 15, 2022
Integral-Direct Hartree-Fock and Møller-Plesset Perturbation Theory for Periodic Systems with Density Fitting: Application to the Benzene CrystalSylvia J Bintrim, Timothy C Berkelbach, Hong-Zhou YeThe Journal of Physical Chemistry Letters|November 13, 2023
Can Spin-Component Scaled MP2 Achieve kJ/mol Accuracy for Cohesive Energies of Molecular Crystals?Yu Hsuan Liang, Hong-Zhou Ye, Timothy C BerkelbachThe Journal of Physical Chemistry Letters|August 8, 2022
Ground-State Properties of Metallic Solids from Ab Initio Coupled-Cluster TheoryVerena A Neufeld, Hong-Zhou Ye, Timothy C BerkelbachThe Journal of Chemical Physics|November 8, 2022
Accurate thermochemistry of covalent and ionic solids from spin-component-scaled MP2Tamar Goldzak, Xiao Wang, Hong-Zhou Ye, et al.Pageof 11