S.F. Machado

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 K through Kr: Application in DFT calculations of molecular properties

Giuseppi Gava Camiletti, S.F. Machado, F.E. Jorge · Journal of Computational Chemistry · 2008 · 104 citations

Engineering, Computational Chemistry, Double Zeta +17

Gaussian basis set of triple zeta valence quality for the atoms from K to Kr: Application in DFT and CCSD(T) calculations of molecular properties

S.F. Machado, Giuseppi Gava Camiletti, A. Canal Neto et al. · Molecular Physics · 2009 · 67 citations

Engineering, Computational Chemistry, Chemistry +16

Augmented Gaussian basis sets of double and triple zeta valence qualities for the atoms K and Sc–Kr: Applications in HF, MP2, and DFT calculations of molecular electric properties

Giuseppi Gava Camiletti, A. Canal Neto, F.E. Jorge et al. · Journal of Molecular Structure THEOCHEM · 2009 · 45 citations

Engineering, Physics, Natural Sciences +9

All-electron segmented contraction basis sets of triple zeta valence quality for the fifth-row elements

L.S.C. Martins, F.E. Jorge, S.F. Machado · Molecular Physics · 2015 · 44 citations

Electron Density, Tzp–dkh Basis Set, Engineering +13