Publicaciones en colaboración con investigadores/as de Paul Sabatier University (4)

2005

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

    Journal of Computational Chemistry, Vol. 26, Núm. 12, pp. 1254-1262

2004

  1. Full configuration interaction calculation of Be3

    Journal of Chemical Physics, Vol. 120, Núm. 18, pp. 8405-8411

  2. Full configuration interaction calculation of singlet excited states of Be3

    Journal of Chemical Physics, Vol. 121, Núm. 15, pp. 7103-7109

2002

  1. Molecular electric quadrupole moments calculated with matrix dressed SDCI

    Chemical Physics Letters, Vol. 359, Núm. 3-4, pp. 343-348