4 papers
Self-consistent vertex corrected with static and dynamic screening using tensor hypercontraction: assessment of molecular charged excitations
Munkhorgil Wang, Ming Wen, Pavel Pokhilko +3
We investigate self-consistent vertex corrections to the self-energy for ionization potentials (IPs) and electron affinities (EAs). We benchmark IPs against CCSD(T) referen…
Reviving the Suspension Balance Model
Mu Wang, Tingtao Zhou, John F. Brady
The Suspension Balance Model (SBM) [J. Fluid Mech. \textbf{275}, 157 (1994)] for two-phase flows uses the momentum balance of the particle phase as a closure for the particle flux,…
Quantifying the Critical Micelle Concentration of Nonionic and Ionic Surfactants by Self-Consistent Field Theory
Chao Duan, Mu Wang, Ahmad Ghobadi +2
Quantifying the critical micelle concentration (CMC) and understanding its relationship with both the intrinsic molecular structures and environmental conditions are crucial for th…
Green/WeakCoupling: Implementation of fully self-consistent finite-temperature many-body perturbation theory for molecules and solids
Sergei Iskakov, Chia-Nan Yeh, Pavel Pokhilko +10
The accurate ab initio simulation of molecules and periodic solids with diagrammatic perturbation theory is an important task in quantum chemistry, condensed matter physics, and ma…