title: Quadratic integrand double-hybrid made spin-component-scaled.
abstract: We propose two analytical expressions aiming to rationalize the spin-component-scaled (SCS) and spin-opposite-scaled (SOS) schemes for double-hybrid exchange-correlation density-functionals. Their performances are extensively tested within the framework of the nonempirical quadratic integrand double-hybrid (QIDH) model on energetic properties included into the very large GMTKN30 benchmark database, and on structural properties of semirigid medium-sized organic compounds. The SOS variant is revealed as a less computationally demanding alternative to reach the accuracy of the original QIDH model without losing any theoretical background.
authors.affiliation: CompuNet, Istituto Italiano di Tecnologia, via Morego 30, I-16163 Genoa, Italy.
authors.forename: Éric
authors.initials: É
authors.lastname: Brémond
authors.affiliation: CompuNet, Istituto Italiano di Tecnologia, via Morego 30, I-16163 Genoa, Italy.
authors.forename: Marika
authors.initials: M
authors.lastname: Savarese
authors.affiliation: Departamento de Química Física, Universidad de Alicante, E-03080 Alicante, Spain.
authors.forename: Juan C
authors.initials: JC
authors.lastname: Sancho-García
authors.affiliation: Departamento de Química Física, Universidad de Alicante, E-03080 Alicante, Spain.
authors.forename: Ángel J
authors.initials: ÁJ
authors.lastname: Pérez-Jiménez
authors.affiliation: CompuNet, Istituto Italiano di Tecnologia, via Morego 30, I-16163 Genoa, Italy.
authors.forename: Carlo
authors.initials: C
authors.lastname: Adamo