Separation of motions of atomic cores and valence electrons in molecules

José R. Mohallem , Leonardo G. Diniz , Adriano S. Dutra
Chemical Physics Letters 501 ( 4) 575 -579

20
2011
Connecting a new non-adiabatic vibrational mass to the bonding mechanism of LiH: A quantum superposition of ionic and covalent states

Leonardo G. Diniz , Alexander Alijah , Ludwik Adamowicz , José R. Mohallem
Chemical Physics Letters 633 89 -94

5
2015
Brazilian impact factor of physics journals--the third side of the coin.

José R. Mohallem , Norma E. da Fonseca
Anais Da Academia Brasileira De Ciencias 87 ( 2) 1233 -1238

1
2015
Adiabatic corrections to the energies of 50 typical medium size molecules containing H atoms

José R. Mohallem , Cristina P. Gonçalves , Tathiana Moreira
Chemical Physics Letters 406 ( 4) 371 -374

5
2005
Potential energy curves for the interaction of a low-energy positron with matter: The case He+e +

José R. Mohallem , Flavia Rolim
Radiation Physics and Chemistry 76 ( 2) 96 -100

2
2007
Positron binding to atoms and apolar molecules: A convergence of theory and experiment

Paulo H. R. Amaral , José R. Mohallem
Physical Review A 86 ( 4)

6
2012
Model-potential approach to positron elastic scattering from noble gases

Luis A. Poveda , Adriano Dutra , José R. Mohallem , Denise Assafrão
Physical Review A 87 ( 5) 052702

10
2013
MO theory of isotope symmetry breaking in HDO and HD

Cristina P. Gonçalves , José R. Mohallem
Chemical Physics Letters 380 ( 3-4) 378 -382

10
2003
Towards universal potentials for (H2)2 and isotopic variants: post-Born-Oppenheimer contributions.

Leonardo G. Diniz , José R. Mohallem
Journal of Chemical Physics 128 ( 21) 214306

1
2008
Self-consistent-field – Hartree–Fock method with finite nuclear mass corrections

Cristina P. Gonçalves , José R. Mohallem
Theoretical Chemistry Accounts 110 ( 6) 367 -370

19
2003
Benchmark Linelists and Radiative Cooling Functions for LiH Isotopologues

Leonardo G. Diniz , Alexander Alijah , José R. Mohallem
Astrophysical Journal Supplement Series 235 ( 2) 35

4
2018
Close-coupling scattering cross sections and a model for positron cooling in a buffer gas of molecular nitrogen

Luis A. Poveda , Denise Assafrão , Jenifer G. Pinheiro , José R. Mohallem
Physical Review A 100 ( 6) 062706

1
2019
Machine-learning predictions of positron binding to molecules

Paulo H. R. Amaral , José R. Mohallem
Physical Review A 102 ( 5) 052808

1
2020
The adiabatic approximation to exotic leptonic molecules: further analysis and a nonlinear equation for conditional amplitudes

José R. Mohallem , José G.R. Tostes
Journal of Molecular Structure-theochem 580 27 -32

6
2002
A new algorithm to handle finite nuclear mass effects in electronic calculations: the ISOTOPE program.

Cristina P. Gonçalves , José R. Mohallem
Journal of Computational Chemistry 25 ( 14) 1736 -1739

27
2004
Asymptotic relation between Darwin and mass-velocity one-electron molecular relativistic corrections

Leonardo G. Diniz , José R. Mohallem
American Journal of Physics 74 ( 1) 68 -71

2006
Fast Hartree–Fock calculations by simulated dynamics. II. An efficient, stable, and accurate algorithm for molecules

Reinaldo O. Vianna , Hélio Chacham , José R. Mohallem
The Journal of Chemical Physics 98 ( 8) 6395 -6400

5
1993
Heteroisotopic molecular behavior: the valence-bond theory of the positronium hydride

Flávia Rolim , Tathiana Moreira , José R. Mohallem
Brazilian Journal of Physics 34 1197 -1203

12
2004
Benchmark rovibrational linelists and einstein a-coefficients for the primordial molecules and isotopologues

Paulo H. R. Amaral , Leonardo G. Diniz , Keith A. Jones , Monika Stanke
The Astrophysical Journal 878 ( 2) 95

9
2019