most citedAccurate and efficient localized basis sets for two-dimensional materials

1 citations · 1 across the 1 of their papers we have counts for

collaborators

2 papers

cond-mat.mtrl-sci2025

Extension of Second-Principles Density Functional Theory into the time domain

Toraya Fernández-Ruiz, Jorge Íñiguez, Javier Junquera +1

We present an extension of the second-principles density functional theory (SPDFT) method to perform time-dependent simulations. Our approach, which calculates the evolution of the…

cond-mat.mtrl-sci2024★ 1 cited

Accurate and efficient localized basis sets for two-dimensional materials

Daniel Bennett, Michele Pizzochero, Javier Junquera +1

First-principles density functional theory (DFT) codes which employ a localized basis offer advantages over those which use plane-wave bases, such as better scaling with system siz…