Publicaciones en colaboración con investigadores/as de Paul Sabatier University (15)

1998

  1. Application of the size-consistent self-consistent intermediate hamiltonian approach to different SDCI. The excited states of N2

    Chemical Physics Letters, Vol. 291, Núm. 3-4, pp. 407-413

  2. Size-consistent self-consistent configuration interaction from a complete active space: Excited states

    Journal of Chemical Physics, Vol. 109, Núm. 19, pp. 8275-8282

  3. Vertical spectrum of ethene: Uncontracted versus contracted correlation methods and the role of the adapted molecular orbitals

    Chemical Physics Letters, Vol. 295, Núm. 3, pp. 181-188

1997

  1. Size-consistent single-reference methods for electronic correlation: A unified formulation through intermediate hamiltonian theory

    Theoretical Chemistry Accounts, Vol. 95, Núm. 5-6, pp. 215-241

1996

  1. Applicability of size-consistent self-consistent configuration interaction to excited states

    Chemical Physics Letters, Vol. 256, Núm. 6, pp. 589-594

1995

  1. Eigenvalue problem formulation of coupled-cluster expansions through intermediate Hamiltonians

    Chemical Physics Letters, Vol. 234, Núm. 1-3, pp. 45-49

  2. Self-consistent intermediate Hamiltonians: A coupled cluster type formulation of the singles and doubles configuration interaction matrix dressing

    The Journal of Chemical Physics, Vol. 103, Núm. 7, pp. 2576-2588

  3. Totally dressed SDCI calculations: An application to HF and F2

    Theoretica Chimica Acta, Vol. 92, Núm. 4, pp. 241-252

1994

  1. Elementary presentation of self-consistent intermediate Hamiltonians and proposal of two totally dressed singles and doubles configuration interaction methods

    The Journal of Chemical Physics, Vol. 100, Núm. 2, pp. 1440-1449

1990

  1. Analysis of the CIPSI/DCCI approach to characterize the HF AND F2 single bond

    Chemical Physics, Vol. 141, Núm. 2-3, pp. 285-295

  2. On the dissociation energy of Cu2 and CuH using a differential correlation approach

    Chemical Physics, Vol. 148, Núm. 1, pp. 69-76

1984

  1. Neutral versus ionic excited states of conjugated systems; their role in photoisomerizations

    Pure and Applied Chemistry, Vol. 56, Núm. 9, pp. 1241-1254

1982

  1. Diradicalar or Ionic Twisted Excited States in the Singlet Cis-Trans Isomerization of Polyenes?

    Journal of the American Chemical Society, Vol. 104, Núm. 12, pp. 3320-3325

  2. General occurrence of polar twisted minima in the ionic singlet excited surfaces of polyenes

    The Journal of Chemical Physics, Vol. 77, Núm. 5, pp. 2475-2482

1981

  1. CI calculations concerning the styrene cis-trans photoisomerization

    Chemical Physics Letters, Vol. 84, Núm. 3, pp. 571-574