A method for the determination of the Hartree-Fock limit: application to closed-shell atoms

Nelson Henrique Morgon , Rogério Custodio , JoséRachid Mohallem ,
Journal of Molecular Structure-theochem 394 95 -100

4
1997
Relaxed geometries and dipole moments of positron complexes with diatomic molecules

Denise Assafrão , José R Mohallem
Journal of Physics: Conference Series 199 ( 1) 012014

1
2010
Point group symmetries of the molecular orbitals of HD+ beyond the Born–Oppenheimer approximation

Cristina P Gonçalves , José R Mohallem
Chemical Physics Letters 367 ( 5) 533 -536

7
2003
Ab initio isotope simulated dynamics in the adiabatic approximation

Cristina P Gonçalves , José R Mohallem
Chemical Physics Letters 320 ( 1) 118 -122

5
2000
Relaxed electric dipole moments of polar molecules interacting with a slow positron: H2O and CH3X (X=F, Cl, Br)

Denise Assafrão , José R Mohallem
Journal of Physics B 43 ( 15) 155204

6
2010
A molecular model for positron complexes: long-range effects on 2γ pair-annihilation rates

José R Mohallem , Flávia Rolim , Cristina P Gonçalves
Journal of Physics B 37 ( 5) 1045 -1053

23
2004
The isotopic dipole moment of HDO

Denise Assafrão , José R Mohallem
Journal of Physics B 40 ( 5)

18
2007
First-Principies Molecular Dynamics

José R Mohallem , Reinaldo O Vianna , Hélio Chacham
Brazilian Journal of Physics 24 ( 4)

1994
Non-adiabatic effects in the H

Paulo HR Amaral , Monika Stanke , Ludwik Adamowicz , Leonardo G Diniz

Vibrational excitation cross-section by positron impact: a wave-packet dynamics study

Luis A Poveda , Marcio T do N Varella , José R Mohallem ,
Atoms 9 ( 3) 64 -64

5
2021
Gaussian integral transforms of unconventional functions: contracted basis functions appropriate to molecules and metallic clusters

Érika de C Bastone , Andréa D Quintão , Reinaldo O Vianna , José R Mohallem
Zeitschrift für Physik D Atoms, Molecules and Clusters 39 69 -73

2
1997
Molecular dynamics simulations of isotope compounds of hydrogen atoms: prospects and progress

Cristina P Gonçalves , Flávia Rolim , Vinı́cius C Mota , José R Mohallem
Journal of Molecular Structure-theochem 580 ( 1) 33 -38

2002
A further study on the discretisation of the Griffin-Hill-Wheeler equation

José R Mohallem
Zeitschrift für Physik D Atoms, Molecules and Clusters 3 339 -344

122
1986
Molecular structure and Bader's theory

José R Mohallem
Theoretical Chemistry Accounts 107 ( 6) 372 -374

17
2002
Chaos and resonances in the classical scattering of a positron by a model diatomic molecule

Luis A Poveda , Maria Izabel Muniz , José R Mohallem
Journal of Molecular Modeling 29 ( 3) 65 -65

4
2023
Descriptor for positron binding to atoms

Paulo HR Amaral , José R Mohallem
Physical Review A 104 ( 4) 042808 -042808

4
2021
Elastic and inelastic cross sections for positron scattering from molecular oxygen

Jenifer G Pinheiro , Denise Assafrão , Luis A Poveda , José R Mohallem
The European Physical Journal D 77 ( 10) 184 -184

2
2023
Physical versus non‐physical effective nuclear masses for non‐adiabatic corrections to molecular spectra

J Batista Pinto Jr , Paulo HR Amaral , Leonardo G Diniz , José R Mohallem
International Journal of Quantum Chemistry 124 ( 1) e27256 -e27256

2024