A. Canal Neto

Contracted Gaussian basis sets for Douglas–Kroll–Hess calculations: Estimating scalar relativistic effects of some atomic and molecular properties

F.E. Jorge, A. Canal Neto, Giuseppi Gava Camiletti et al. · The Journal of Chemical Physics · 2009 · 263 citations

Numerical Analysis, Engineering, Gaussian Basis Sets +17

Gaussian basis set of double zeta quality for atoms Rb through Xe: application in non-relativistic and relativistic calculations of atomic and molecular properties

C.L. Barros, P.J.P. de Oliveira, F.E. Jorge et al. · Molecular Physics · 2010 · 213 citations

X-ray Crystallography, X-ray Spectroscopy, Engineering +18

Gaussian basis sets for correlated wave functions. Hydrogen, helium, first- and second-row atoms

A. Canal Neto, Eduardo Perini Muniz, R. Centoducatte et al. · Journal of Molecular Structure THEOCHEM · 2005 · 184 citations

Quantum Dynamic, Quantum Science, Wave Functions +12

All-electron double zeta basis sets for the most fifth-row atoms: Application in DFT spectroscopic constant calculations

A. Canal Neto, F.E. Jorge · Chemical Physics Letters · 2013 · 155 citations

Engineering, Physics, Electron Spectroscopy +10

Augmented Gaussian basis sets of triple and quadruple zeta valence quality for the atoms H and from Li to Ar: Applications in HF, MP2, and DFT calculations of molecular dipole moment and dipole (hyper)polarizability

P.A. Fantin, Pedro L. Barbieri, A. Canal Neto et al. · Journal of Molecular Structure THEOCHEM · 2007 · 89 citations

Engineering, Physics, Molecular Dipole Moment +11