2 papers
physics.chem-ph2026
All-Electron Relativistic Fully Self-Consistent Study of Heteronuclear Actinide-Containing Diatomics
Jacob Adamski, Vibin Abraham, Dominika Zgid
The fully self-consistent (sc) approximation provides a Green's-function approach that is starting-point independent and offers a favorable cost-to-accuracy balance compar…
cond-mat.mtrl-sci2024
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…