A. C. Neto

发表

Some considerations about Gaussian basis sets for electric property calculations

F. E. Jorge, F. Jorge, Priscilla Mendes Arruda, 2009 .

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

A. Varandas, A. C. Neto, F. Pansini, 2016, Theoretical Chemistry Accounts.

Computational studies of the Ca12O12, Ti12O12, Fe12O12 and Zn12O12 nanocage clusters

J. Pires, A. C. Neto, O. V. Oliveira, 2015 .

Some considerations about Dirac–Fock calculations

F. E. Jorge, P. R. Librelon, F. Jorge, 2001 .

Highly accurate relativistic gaussian basis sets for closed-shell atoms from He through to No

F. E. Jorge, P. R. Librelon, F. Jorge, 2000 .

Effects of All-Electron Basis Sets and the Scalar Relativistic Corrections in the Structure and Electronic Properties of Niobium Clusters.

A. C. Neto, F. Pansini, M. de Campos, 2017, The journal of physical chemistry. A.

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

F. E. Jorge, F. Jorge, A. C. Neto, 2005 .

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

A. Varandas, A. C. Neto, F. Pansini, 2015 .

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

F. E. Jorge, S. F. Machado, F. Jorge, 2009 .

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

F. E. Jorge, F. Jorge, A. C. Neto, 2007 .

Application of the unified singlet and triplet electron-pair extrapolation scheme with basis set rehierarchization to tensorial properties.

A. Varandas, A. C. Neto, F. Pansini, 2015, The journal of physical chemistry. A.

Density functional theory calculations of optical rotation: employment of ADZP and its comparison with other basis sets.

F. E. Jorge, F. Jorge, A. C. Neto, 2007, Chirality.

Gaussian basis sets for low-lying excited states of neutral atoms with 2 ≤ Z ≤ 36

F. E. Jorge, M. T. Barreto, F. Jorge, 2004 .

Calculations of Optical Rotation from Density Functional Theory

F. Jorge, A. C. Neto, 2007 .

An accurate Gaussian basis set for N2, BF, and CO molecules

F. E. Jorge, A. C. Neto, 2002 .

Highly accurate Gaussian basis sets for some 14‐electron diatomic systems*

F. E. Jorge, A. C. Neto, R. Centoducatte, 2002 .

ZORA all-electron double zeta basis sets for the elements from H to Xe: application in atomic and molecular property calculations

F. E. Jorge, A. C. Neto, A. Z. de Oliveira, 2021, Journal of Molecular Modeling.

All-electron triple zeta basis sets for ZORA calculations: Application in studies of atoms and molecules

F. E. Jorge, F. Jorge, A. C. Neto, 2021 .

Gaussian basis sets for atomic and molecular calculations obtained from stochastic optimization

Mauro Campos, A. C. Neto, Thiago Mello dos Reis, 2017 .

Gaussian basis sets for low‐lying excited states of the atoms from He to Kr

F. E. Jorge, A. C. Neto, E. D. Castro, 2003 .

Augmented Gaussian basis set of double zeta valence quality for the atoms Rb and Y–Xe: Application in DFT calculations of molecular electric properties

F. E. Jorge, P. D. Oliveira, A. C. Neto, 2010 .

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

F. E. Jorge, S. F. Machado, A. C. Neto, 2009 .

Gaussian basis set of sextuple zeta quality for hydrogen through argon

C. T. Campos, F. E. Jorge, A. C. Neto, 2011 .

ZORA Gaussian basis sets for Fr, Ra, and Ac

F. E. Jorge, A. C. Neto, Thieberson Gomes, 2022, Journal of Molecular Modeling.

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

F. E. Jorge, A. C. Neto, 2013 .

Molecule‐adapted basis sets optimized with a quantum Monte Carlo method

Mauro Campos, Priscilla Mendes Arruda, A. C. Neto, 2015 .

Improved generator coordinate Hartree–Fock method applied to generate Gaussian basis sets for the isoelectronic series of the atoms He to Ne

F. E. Jorge, A. C. Neto, M. F. D. Castro, 2002 .

Adapted Gaussian basis sets for atoms Cs to Lr based on the generator coordinate Hartree–Fock method

F. E. Jorge, A. C. Neto, P. R. Librelon, 1998 .

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

F. E. Jorge, F. Jorge, P. D. Oliveira, 2010 .