F.N.N. Pansini

Narrowing the error in electron correlation calculations by basis set re-hierarchization and use of the unified singlet and triplet electron-pair extrapolation scheme: Application to a test set of 106 systems

A. J. C. Varandas, F.N.N. Pansini · The Journal of Chemical Physics · 2014 · 93 citations

Basis Hierarchical Numbers, Engineering, Electron Diffraction +17

Extrapolation of Hartree–Fock and multiconfiguration self-consistent-field energies to the complete basis set limit

F.N.N. Pansini, A. Canal Neto, A. J. C. Varandas · Theoretical Chemistry Accounts · 2016 · 49 citations

Quantum Science, Complete Basis, Engineering +8

On the performance of various hierarchized bases in extrapolating the correlation energy to the complete basis set limit

F.N.N. Pansini, A. Canal Neto, A. J. C. Varandas · Chemical Physics Letters · 2015 · 36 citations

Complete Basis, Correlation Energy, Atomic Decomposition +4

Toward a unified single-parameter extrapolation scheme for the correlation energy: Systems formed by atoms of hydrogen through neon

F.N.N. Pansini, A. J. C. Varandas · Chemical Physics Letters · 2015 · 26 citations

Correlation Energy, Engineering, Physics +10

A comprehensive study of the reduction of nitrate on natural FeTiO3: Photocatalysis and DFT calculations

Jefferson E. Silveira, Aramille S. de Souza, F.N.N. Pansini et al. · Separation and Purification Technology · 2022 · 21 citations · Full text

Comprehensive Study, Oxygen Reduction Reaction, Chemical Engineering +11