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José Rachid Mohallem
José Rachid Mohallem
Verified email at fisica.ufmg.br
Title
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Cited by
Year
A Griffin–Hill–Wheeler version of the Hartree–Fock equations
JR Mohallem, RM Dreizler, M Trsic
International Journal of Quantum Chemistry 30 (S20), 45-55, 1986
1841986
A further study on the discretisation of the Griffin-Hill-Wheeler equation
JR Mohallem
Zeitschrift für Physik D Atoms, Molecules and Clusters 3, 339-344, 1986
1231986
A universal Gaussian basis set for atoms Li through Ne based on a generator coordinate version of the Hartree–Fock equations
JR Mohallem, M Trsic
The Journal of chemical physics 86 (9), 5043-5044, 1987
731987
Differential and total cross sections for antiproton-impact ionization of atomic hydrogen and helium
M McGovern, D Assafrão, JR Mohallem, CT Whelan, HRJ Walters
Physical Review A 79 (4), 042707, 2009
662009
Universal gaussian and Slater-type basis sets for atoms He to Ar based on an integral version of the Hartree-Fock equations
HFM da Costa, M Trsic, JR Mohallem
Molecular Physics 62 (1), 91-95, 1987
661987
Variational calculations for the bound-unbound transition of the Yukawa potential
OA Gomes, H Chacham, JR Mohallem
Physical Review A 50 (1), 228, 1994
651994
Coincidence studies of He ionized by , , and
M McGovern, D Assafrao, JR Mohallem, CT Whelan, HRJ Walters
Physical Review A 81 (4), 042704, 2010
602010
Vibrationally and rotationally nonadiabatic calculations on using coordinate-dependent vibrational and rotational masses
LG Diniz, JR Mohallem, A Alijah, M Pavanello, L Adamowicz, ...
Physical Review A 88 (3), 032506, 2013
512013
A new algorithm to handle finite nuclear mass effects in electronic calculations: The ISOTOPE program
CP Gonçalves, JR Mohallem
Journal of computational chemistry 25 (14), 1736-1739, 2004
362004
Interdisciplinary applications of Pauling's metallic orbital and unsynchronized resonance to problems of modern physical chemistry: conductivity, magnetism, molecular stability …
AC Pavao, CA Taft, TCF Guimaraes, MBC Leao, JR Mohallem, WA Lester
The Journal of Physical Chemistry A 105 (1), 5-11, 2001
362001
Evidences of molecular structure beyond the Born–Oppenheimer approximation: the model hamiltonian
JR Mohallem
Journal of Molecular Structure: THEOCHEM 709 (1-3), 11-13, 2004
332004
Molecular structure and Bader's theory
JR Mohallem
Theoretical Chemistry Accounts 107, 372-374, 2002
312002
Pseudostate methods and differential cross sections for antiproton ionization of atomic hydrogen and helium
M McGovern, D Assafrão, JR Mohallem, CT Whelan, HRJ Walters
Physical Review A 81 (3), 032708, 2010
292010
Pauling’s resonating valence bond theory of metals: some studies on lithium clusters
JR Mohallem, RO Vianna, AD Quintão, AC Pavão, R McWeeny
Zeitschrift Für Physik D Atoms, Molecules and Clusters 42, 135-143, 1997
291997
A molecular model for positron complexes: long-range effects on 2γ pair-annihilation rates
JR Mohallem, F Rolim, CP Gonçalves
Journal of Physics B: Atomic, Molecular and Optical Physics 37 (5), 1045, 2004
272004
Self-consistent-field–Hartree–Fock method with finite nuclear mass corrections
CP Gonçalves, JR Mohallem
Theoretical Chemistry Accounts 110, 367-370, 2003
272003
Separation of motions of atomic cores and valence electrons in molecules
JR Mohallem, LG Diniz, AS Dutra
Chemical Physics Letters 501 (4-6), 575-579, 2011
262011
Adiabatic corrections to density functional theory energies and wave functions
JR Mohallem, T de O. Coura, LG Diniz, G De Castro, D Assafrão, T Heine
The Journal of Physical Chemistry A 112 (38), 8896-8901, 2008
262008
The generator coordinate Hartree-Fock method for molecular systems. Formalism and first applications to H2, LiH and Li2
HFM Da Costa, ABF Da Silva, JR Mohallem, AM Simas, M Trsic
Chemical physics 154 (3), 379-384, 1991
261991
Unified description of chemical bonding in H2 isotopomers, including Ps2, μ2 and bi-excitons
F Rolim, JP Braga, JR Mohallem
Chemical Physics Letters 332 (1-2), 139-144, 2000
242000
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