Coupling Natural Orbital Functional Theory and Many-Body Perturbation Theory by Using Nondynamically Correlated Canonical Orbitals

  1. Rodríguez-Mayorga, M.
  2. Mitxelena, I.
  3. Bruneval, F.
  4. Piris, M.
Aldizkaria:
Journal of Chemical Theory and Computation

ISSN: 1549-9626 1549-9618

Argitalpen urtea: 2021

Alea: 17

Zenbakia: 12

Orrialdeak: 7562-7574

Mota: Artikulua

DOI: 10.1021/ACS.JCTC.1C00858 GOOGLE SCHOLAR