2 papers
cond-mat.mtrl-sci2025
Self-consistent random phase approximation and optimized hybrid functionals for solids
Thomas Pitts, Damian Contant, Maria Hellgren
The random phase approximation (RPA) and the approximation share the same total energy functional but RPA is defined on a restricted domain of Green's functions determined by…
physics.chem-ph2018
Performance of the Constrained Minimization of the Total Energy in Density Functional Approximations: the Electron Repulsion Density and Potential
Tom Pitts, Nikitas I. Gidopoulos, Nektarios N. Lathiotakis
In the constrained minimization method of Gidopoulos and Lathiotakis (J. Chem. Phys. 136, 224109), the Hartree exchange and correlation Kohn-Sham potential of a finite -electron…