Trial wave functions for high-pressure metallic hydrogen (Articolo in rivista)

Type
Label
  • Trial wave functions for high-pressure metallic hydrogen (Articolo in rivista) (literal)
Anno
  • 2008-01-01T00:00:00+01:00 (literal)
Alternative label
  • Pierleoni, C; Delaney, KT; Morales, MA; Ceperley, DM; Holzmann, M (2008)
    Trial wave functions for high-pressure metallic hydrogen
    in Computer physics communications
    (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#autori
  • Pierleoni, C; Delaney, KT; Morales, MA; Ceperley, DM; Holzmann, M (literal)
Pagina inizio
  • 89 (literal)
Pagina fine
  • 97 (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#numeroVolume
  • 179 (literal)
Rivista
Note
  • ISI Web of Science (WOS) (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#affiliazioni
  • \"[Pierleoni, Carlo] Univ Aquila, INFM CNR SOFT, I-67010 Laquila, Italy; Univ Aquila, Dept Phys, I-67010 Laquila, Italy; [Delaney, Kris T.] Univ Calif Santa Barbara, Mat Res Lab, Santa Barbara, CA 93106 USA; [Morales, Miguel A.; Ceperley, David M.] Univ Illinois, Dept Phys, Urbana, IL 61801 USA; [Holzmann, Markus] Univ Paris 06, LPTMC, F-75005 Paris, France; [Holzmann, Markus] LPTMC, CNRS UJF, F-38042 Grenoble, France (literal)
Titolo
  • Trial wave functions for high-pressure metallic hydrogen (literal)
Abstract
  • Many body trial wave functions are the key ingredient for accurate Quantum Monte Carlo estimates of total electronic energies in many electron systems. In the Coupled Electron-Ion Monte Carlo method, the accuracy of the trial function must be conjugated with the efficiency of its evaluation. We report recent progress in trial wave functions for metallic hydrogen implemented in the Coupled Electron-Ion Monte Carlo method.,v, I We We describe and characterize several types of trial functions of increasing complexity in the range of the coupling parameter 1.0 <= r(s) <= 1.55. report wave function comparisons for disordered protonic configurations and preliminary results for thermal averages. (C) 2008 Elsevier B.V. All rights reserved. (literal)
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