| Magnesium clusters: structural and electronic properties and the size-induced nonmetal-to-metal transition J Jellinek, PH Acioli The Journal of Physical Chemistry A 106 (45), 10919-10925, 2002 | 169 | 2002 |
| Structure and magnetism of V n Bz n+ 1 sandwich clusters J Wang, PH Acioli, J Jellinek Journal of the American Chemical Society 127 (9), 2812-2813, 2005 | 157 | 2005 |
| The fitting of potential energy surfaces using neural networks: Application to the study of vibrational levels of H3+ FV Prudente, PH Acioli, JJ Neto The Journal of chemical physics 109 (20), 8801-8808, 1998 | 132 | 1998 |
| Electron binding energies of anionic magnesium clusters and the nonmetal-to-metal transition PH Acioli, J Jellinek Physical review letters 89 (21), 213402, 2002 | 113 | 2002 |
| Diffusion Monte Carlo study of jellium surfaces: Electronic densities and pair correlation functions PH Acioli, DM Ceperley Physical Review B 54 (23), 17199, 1996 | 81 | 1996 |
| A study of confined quantum systems using the Woods-Saxon potential LS Costa, FV Prudente, PH Acioli, JJS Neto, JDM Vianna Journal of Physics B: Atomic, Molecular and Optical Physics 32 (10), 2461, 1999 | 78 | 1999 |
| Vibrational ground state properties of H5+ and its isotopomers from diffusion Monte Carlo calculations PH Acioli, Z Xie, BJ Braams, JM Bowman The Journal of chemical physics 128 (10), 2008 | 61 | 2008 |
| Review of quantum Monte Carlo methods and their applications PH Acioli Journal of Molecular Structure: THEOCHEM 394 (2-3), 75-85, 1997 | 54 | 1997 |
| Full configuration interaction pseudopotential determination of the ground‐state potential energy curves of Li2 and LiH AM Maniero, PH Acioli International journal of quantum chemistry 103 (5), 711-717, 2005 | 50 | 2005 |
| Converting Kohn–Sham eigenenergies into electron binding energies J Jellinek, PH Acioli The Journal of chemical physics 118 (17), 7783-7796, 2003 | 44 | 2003 |
| Mn n− clusters: Size-induced transition to half metallicity J Jellinek, PH Acioli, J Garciá-Rodeja, W Zheng, OC Thomas, ... Physical Review B 74 (15), 153401, 2006 | 41 | 2006 |
| Generation of pseudopotentials from correlated wave functions PH Acioli, DM Ceperley The Journal of chemical physics 100 (11), 8169-8177, 1994 | 34 | 1994 |
| Polaron properties in armchair graphene nanoribbons WF Da Cunha, PH Acioli, PH de Oliveira Neto, R Gargano, GM e Silva The Journal of Physical Chemistry A 120 (27), 4893-4900, 2016 | 26 | 2016 |
| Correlation function quantum Monte Carlo studies of rovibrational excited states in molecules FV Prudente, LS Costa, PH Acioli Journal of Physics B: Atomic, Molecular and Optical Physics 33 (22), R285, 2000 | 26 | 2000 |
| Estimating correlation energy of diatomic molecules and atoms with neural networks G Magela E Silva, PH Acioli, AC Pedroza Journal of computational chemistry 18 (11), 1407-1414, 1997 | 24 | 1997 |
| Theoretical calculations of a new potential energy surface for the H+ Li2 reaction AM Maniero, PH Acioli, GM e Silva, R Gargano Chemical Physics Letters 490 (4-6), 123-126, 2010 | 21 | 2010 |
| Magnesium clusters: Structural and electronic properties and the size-induced nonmetal-to-metal transition J Jellinek, PH Acioli The Journal of Physical Chemistry A 107 (10), 1670-1670, 2003 | 21 | 2003 |
| Quantum-Monte Carlo study of rovibrational states of molecular systems FV Prudente, PH Acioli Chemical physics letters 302 (3-4), 249-254, 1999 | 21 | 1999 |
| Theoretical determination of electron binding energy spectra of anionic magnesium clusters PH Acioli, J Jellinek The European Physical Journal D-Atomic, Molecular, Optical and Plasma …, 2003 | 20 | 2003 |
| Dynamics of charge transfer in molecular switches GM e Silva, PH Acioli Synthetic metals 87 (3), 249-256, 1997 | 20 | 1997 |
Julius JellinekArgonne National LaboratoryVerified email at anl.gov
