Gerardo Delgado-Barrio


Director of Institute of Mathematics and Fundamental Physics (CSIC)
Atomic Physics, Molecular and Aggregates
Consejo Superior de Investigaciones Científicas





A Quantum Chemistry Approach to Energies, Structures, and Spectroscopy of Doped Helium Clusters,
J. Phys. Chem. A 115, (2011), pp. 6892-6902.

Full-dimensional multi configuration time dependent Hartree calculations of the ground and vibrationally excited states of He2,3Br2 clusters,
J. Chem. Phys. 135, (2011), 054303-1-9

Ab initio characterization of the NeI2 van der Waals complex: Intermolecular potentials and vibrational bound states,
J. Chem. Phys. 134, (2011), 214304-1-9.

Internal proton transfer and H2 rotations in the H+5 cluster: a marked influence on its thermal equilibrium state,
J. Phys. Chem. A 115, (2011), pp. 2483-2488.

Molecular dynamics simulations of rigid and flexible water models: temperature dependence of viscosity,
Chem. Phys. 388, (2011), pp. 9-18.

Microscopic description of small doped 3He clusters through the full-configurationinteraction nuclear orbital approach: the (3He)N-Br2(X) case revisited,
Int. J. Quantum Chem. 111, (2011), pp.406-415

Toward a realistic DFT potential energy surface for the H+5 cluster,
J. Chem. Phys. 133, (2010), 054303-1-10.

A new accurate and full dimensional potential energy surface of H5based on a triatomics-in-molecules analytical functional form,
J. Chem. Phys. 133, (2010), pp. 024306-1-15.

 A path-integral Monte Carlo study of a small cluster: The Ar trimer,
J. Chem. Phys. 132, (2010), 244303.

Quantum solvent states and rovibrational spectra of small doped 3He clusters through the full configuration-interaction nuclear orbital approach: The (3He)N-Cl2(X) case (N<4),
J. Chem. Phys. 132 (2010), 194313-1,14.