Distributed Gaussian orbitals for molecular calculations: application to simple systems

Stefano Battaglia (1, 2) , David Bouet (2) , Alexis Lecoq (2) , Stefano Evangelisti (2) , Noelia Faginas Lago (1) , Thierry Leininger (2) , Andrea Lombardi (1)

1 UNIPG - Università degli Studi di Perugia = University of Perugia
2 LCPQ - Laboratoire de Chimie et Physique Quantiques

Domaines: Chimie théorique et/ou physique

Stefano Battaglia, David Bouet, Alexis Lecoq, Stefano Evangelisti, Noelia Faginas Lago, et al.. Distributed Gaussian orbitals for molecular calculations: application to simple systems. Molecular Physics, 2020, 118, pp.1615646. ⟨10.1080/00268976.2019.1615646⟩. ⟨hal-02156091⟩