Publikationen in Zusammenarbeit mit Forschern von Lund University (4)

1995

  1. Density matrix averaged atomic natural orbital (ANO) basis sets for correlated molecular wave functions - III. First row transition metal atoms

    Theoretica Chimica Acta, Vol. 92, Núm. 3, pp. 149-181

1994

  1. The chemical bonds in CuH, Cu2, NiH, and Ni2 studied with multiconfigurational second order perturbation theory

    The Journal of Chemical Physics, Vol. 101, Núm. 6, pp. 4893-4902

1993

  1. Theoretical Study of the Electronic Spectra of Cyclopentadiene, Pyrrole, and Furan

    Journal of the American Chemical Society, Vol. 115, Núm. 14, pp. 6184-6197

  2. Towards an accurate molecular orbital theory for excited states: Ethene, butadiene, and hexatriene

    Journal of Chemical Physics, Vol. 98, Núm. 4, pp. 3151-3162