19 citations · 25 across the 3 of their papers we have counts for
3 papers
Efficient Implementation of the Random Phase Approximation with Domain-based Local Pair Natural Orbitals
Yu Hsuan Liang, Xing Zhang, Garnet Kin-Lic Chan +2
We present an efficient implementation of the random phase approximation (RPA) for molecular systems within the domain-based local pair natural orbital (DLPNO) framework. With opti…
Can spin-component scaled MP2 achieve kJ/mol accuracy for cohesive energies of molecular crystals?
Yu Hsuan Liang, Hong-Zhou Ye, Timothy C. Berkelbach
Achieving kJ/mol accuracy in the cohesive energy of molecular crystals, as necessary for crystal structure prediction and the resolution of polymorphism, is an ongoing challenge in…
Too big, too small or just right? A benchmark assessment of density functional theory for predicting the spatial extent of the electron density of small chemical systems
Diptarka Hait, Yu Hsuan Liang, Martin Head-Gordon
Multipole moments are the first order responses of the energy to spatial derivatives of the electric field strength. The quality of density functional theory (DFT) prediction of mo…