Publicaciones

Publicaciones:

2010

1. "Three approximations to the nonlocal and energy-dependent correlation potential in electron propagator theory",
   R. Flores-Moreno, J. Melin, O. Dolgounitcheva, V. G. Zakrzewski and J. V. Ortiz,
   International Journal of Quantum Chemistry 110, 706 (2010)
   


2. "Cluster structures: Bridging experiment and theory",
   F. Janetzko, A. Goursot, T. Mineva, P. Calaminici, R. Flores-Moreno, A. M. Köster and D. R. Salahub,
   in Nanoclusters: A Bridge Across Disciplines,
   P. Jena, A. Castleman, Jr.,
   (Elsevier, Amsterdam, 2010).
   


3. "Symmetry conservation in Fukui functions",
   R. Flores-Moreno,
   Journal of Chemical Theory and Computation 6, 48 (2010)
   Request reprint: http://pubs.acs.org/articlesonrequest/AOR-h3hZITz6NEJHVHCaqT6I
   



2009

4. "Integral Approximation in Ab Initio, Electron Propagator Calculations",
   R. Flores-Moreno and J. V. Ortiz,
   The Journal of Chemical Physics 131, 124110 (2009)
   


5. "Efficient and accurate electron propagator methods and algorithms",
   R. Flores-Moreno and J. V. Ortiz,
   Annals of the European Academy of Science,
   J. Leszcynski and M. K. Shukla, editors,
   (Springer, New York, 2009).
   


6. "Influence of endohedral confinement on the electronic interaction between hellium atoms: A He2@C20H20 case study",
   E. Cerpa, A. Krapp, R. Flores-Moreno, K. J. Donald and G. Merino,
   Chemistry: A European Journal 15, 1985 (2009)
   



2008

7. "Efficient calculation of analytic Fukui functions",
   R. Flores-Moreno, J. Melin, J. V. Ortiz and G. Merino,
   The Journal of Chemical Physics 129, 224105 (2008)
   
   


8. "Virtual space reduction in quasi-particle electron propagator calculations: Applications to polycyclic aromatic hydrocarbons",
   O. Dolgounitcheva, R. Flores-Moreno, V. G. Zakrzewski and J. V. Ortiz,
   International Journal of Quantum Chemistry 108, 2862 (2008)
   


9. "Quasi-particle virtual orbitals in electron propagator calculations",
   R. Flores-Moreno and J. V. Ortiz,
   The Journal of Chemical Physics 128, 164105 (2008)
   


10. "Auxiliary density perturbation theory",
    R. Flores-Moreno and A. M. Köster,
    The Journal of Chemical Physics 128, 134105 (2008)
    



2007

11. "Assessment of transition operator reference states in electron propagator calculations",
    R. Flores-Moreno, V. G. Zakrzewski and J. V. Ortiz,
    The Journal of Chemical Physics 127, 134106 (2007)
    



2006

12. "Half-Numerical Evaluation of Pseudo-Potential Integrals",
    R. Flores-Moreno, R. J. Alvarez-Mendez, A. Vela and A. M. Köster,
    Journal of Computational Chemistry 27, 1009 (2006)
    


13. "A density functional study of structures and vibrations of Ta3O and Ta3O-",
    P. Calaminici, R. Flores-Moreno and A. M. Köster,
    in Structure and Properties of Clusters: From a few Atoms to Nanoparticles
    To the memory of Jaroslav Koutecky, Volume 5: Lecture Series on Computer and Computational Sciences, p. 22, George Moroulis, editor
    (Brill Academic Publishers, Leiden, The Netherlands, 2006)
    



2005

14. "A density functional study of structures and vibrations of Ta3O and Ta3O-",
    P. Calaminici, R. Flores-Moreno and A. M. Köster,
    Computing Letters 1, 164 (2005)
    



2004

15. "Structures and vibrations of Nb3O and Nb3O-: A density functional study",
    P. Calaminici, R. Flores-Moreno and A. M. Köster,
    The Journal of Chemical Physics 121, 3558 (2004)
    [5 citas]
    


16. "Efficient and reliable numerical integration of exchange-correlation energies and potentials",
    A. M. Köster, R. Flores-Moreno and J. U. Reveles,
    The Journal of Chemical Physics 121, 681 (2004)
    [48 citas]