4 papers
Gradient expansion approximation of the inhomogeneous electron-gas revisited: Higher-order corrections
Mario Benites, Angel Rosado, Efstratios Manousakis
In our recently published work (our Ref. 1) we revisited the gradient expansion approximation (GEA) of the interacting electron gas, and recalculated the leading-order contribution…
Gradient-expansion of the inhomogeneous electron-gas revisited
Mario Benites, Angel Rosado, Efstratios Manousakis
In the present work, we revisit the problem of the inhomogeneous electron gas under the influence of a weak external potential, which allows us to calculate the gradient correction…
QUANTUM ESPRESSO implementation of the RPA-based functional
Angel Rosado, Mario Benites, Efstratios Manousakis
We detail our implementation of the random-phase-approximation based functional (RPAF) derived in our previous publication [Phys. Rev. B 110, 195151 (2024)] for the QUANTUM ESPRESS…
Accurate electron correlation-energy functional: Expansion in an interaction renormalized by the random-phase approximation
Mario Benites, Angel Rosado, Efstratios Manousakis
We present an accurate local density-functional for electronic-structure calculations within the density functional theory (DFT). The functional is derived by analyzing the structu…