Zobrazeno 1 - 10
of 85
pro vyhledávání: '"José R. Mohallem"'
Publikováno v:
Atoms, Vol 9, Iss 3, p 64 (2021)
The vibrational excitation cross-section of a diatomic molecule by positron impact is obtained using wave-packet propagation techniques. The dynamics study was carried on a two-dimensional potential energy surface, which couples a hydrogenlike harmon
Externí odkaz:
https://doaj.org/article/af354faff17d4d7aac380218829d1d07
Autor:
José R. Mohallem, Norma E. da Fonseca
Publikováno v:
Anais da Academia Brasileira de Ciências, Vol 87, Iss 2, Pp 1233-1238 (2015)
The lack of correlation between the Journal Impact Factors and the most cited Brazilian papers in physics is statistically demonstrated. The existence of an effective "Brazilian Impact Factor" is observed, being its values, in general, lower than the
Externí odkaz:
https://doaj.org/article/219e81c23f6f4bec923e64c168d03d67
Publikováno v:
Journal of Molecular Modeling. 29
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::218c14f248f837d19760c2726b671cd9
https://doi.org/10.1007/s00894-022-05437-9
https://doi.org/10.1007/s00894-022-05437-9
Autor:
Paulo H. R. Amaral, José R. Mohallem
Publikováno v:
Physical Review A. 104
Systematic theoretical data of positron binding to atoms [C. Harabati, V. A. Dzuba, and V. V. Flambaum, Phys. Rev. A 89, 022517 (2014)] are handled by machine learning techniques. Despite the existence of unsystematic errors in the calculations, it b
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::8cdeada9f59a1342bc9e421cd7abd01b
https://doi.org/10.1103/physreva.104.042808
https://doi.org/10.1103/physreva.104.042808
Autor:
Paulo H. R. Amaral, José R. Mohallem
Publikováno v:
Physical Review A. 102
Machine-learning techniques are used to check the theoretical and experimental predictions of positron binding to general molecules. The bound or unbound character of previous calculations for polar molecules are mostly confirmed. Binding for so far
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::1c1cd1c56663d19d9627b0d445b046b6
https://doi.org/10.1103/physreva.102.052808
https://doi.org/10.1103/physreva.102.052808
Publikováno v:
Physical Review A. 100
Cross sections for positron scattering from molecular nitrogen are reported for energies below the positronium formation threshold. The elastic and state-to-state rotational and vibrational cross sections were obtained within the close-coupling forma
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::fc696cfe583167f546a9718fb9a82d9f
https://doi.org/10.1103/physreva.100.062706
https://doi.org/10.1103/physreva.100.062706
Autor:
Paulo F. G. Velloso, José R. Mohallem
Publikováno v:
International Journal of Quantum Chemistry. 120
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::8903912ac302d0f2f1be1c712358e7bc
https://doi.org/10.1002/qua.26116
https://doi.org/10.1002/qua.26116
Autor:
Ludwik Adamowicz, José R. Mohallem, Monika Stanke, Leonardo G. Diniz, Paulo H. R. Amaral, Alexander Alijah
Publikováno v:
Philos Trans A Math Phys Eng Sci
The effect of non-adiabatic coupling on the computed rovibrational energy levels amounts to about 2 cm −1 for H 3 + and must be included in high-accuracy calculations. Different strategies to obtain the corresponding energy shifts are reviewed in t
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::a84fbce0b8a779d39f6670c51e6d24ed
https://europepmc.org/articles/PMC6710893/
https://europepmc.org/articles/PMC6710893/
Publikováno v:
Journal of Molecular Spectroscopy. 322:22-28
A very accurate dipole moment curve (DMC) for the ground X 1 Σ + electronic state of the 7 LiH molecule is reported. It is calculated with the use of all-particle explicitly correlated Gaussian functions with shifted centers. The DMC – the most ac
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::b5ef3e661ff37e44f673e808ac568349
A HD-like isotopic dipole moment is proposed as a sensible probe for molecular environments, in particular for electrostatic fields and polarizable (reactive) sites of molecules. Fictitious nuclear masses are chosen in order to yield a rigid dipole w
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::27f694f869dcf5c133deddf430ee97b8
http://arxiv.org/abs/1810.00287
http://arxiv.org/abs/1810.00287