Multistate active spaces from local CAS-SCF molecular orbitals: The photodissociation of HFCO as an example

  1. Junquera-Hernández, J.M.
  2. Pitarch-Ruiz, J.
  3. Sánchez-Marín, J.
  4. Evangelisti, S.
  5. Maynau, D.
Aldizkaria:
Journal of Computational Chemistry

ISSN: 0192-8651

Argitalpen urtea: 2005

Alea: 26

Zenbakia: 12

Orrialdeak: 1254-1262

Mota: Artikulua

DOI: 10.1002/JCC.20262 GOOGLE SCHOLAR