L. Baguet

collaborators

2 papers

cond-mat.mtrl-sci2021

Random phase approximation with exchange for an accurate description of crystalline polymorphism

Maria Hellgren, Lucas Baguet

We determine the correlation energy of BN, SiO $_{2}$ and ice polymorphs employing a recently developed RPAx (random phase approximation with exchange) approach. The RPAx provides lar…

cond-mat.mtrl-sci2020

Electronic structure of TiSe $_{2}$ from a quasi-self-consistent G $_{0}$ W $_{0}$ approach

Maria Hellgren, Lucas Baguet, Matteo Calandra +2

In a previous work it was shown that the inclusion of exact exchange is essential for a first principles description of both the electronic- and the vibrational properties of TiSe$…

Random phase approximation with exchange for an accurate description of crystalline polymorphism

Electronic structure of TiSe2​ from a quasi-self-consistent G0​W0​ approach

Electronic structure of TiSe $_{2}$ from a quasi-self-consistent G $_{0}$ W $_{0}$ approach