2 papers
cond-mat.mtrl-sci2019
Accurate ground state- and quasiparticle energies: beyond the RPA and GW methods with adiabatic exchange-correlation kernels
Thomas Olsen, Christopher E. Patrick, Jefferson E. Bates +2
We review the theory and application of adiabatic exchange-correlation (xc-) kernels for ab initio calculations of ground state energies and quasiparticle excitations within the fr…
cond-mat.mtrl-sci2019
Treating different bonding situations: Revisiting Au-Cu alloys using the random phase approximation
Niraj K. Nepal, Santosh Adhikari, Jefferson E. Bates +1
The ground state equilibrium properties of copper-gold alloys have been explored with the state of art random phase approximation (RPA). Our estimated lattice constants agree with…