Mariano Rodriguez‐Bautista

Roothaan’s approach to solve the Hartree-Fock equations for atoms confined by soft walls: Basis set with correct asymptotic behavior

Mariano Rodriguez‐Bautista, C. Díaz‐García, Alejandra M. Navarrete‐López et al. · The Journal of Chemical Physics · 2015 · 62 citations

External Orbitals, Soft Walls, Engineering +15

Electron‐density delocalization in many‐electron atoms confined by penetrable walls: A <scp>H</scp>artree–<scp>F</scp>ock study

Mariano Rodriguez‐Bautista, Rubicelia Vargas, N. Aquino et al. · International Journal of Quantum Chemistry · 2017 · 40 citations

Engineering, Electron Density Delocalization, Electron Diffraction +21

Solution of the Kohn–Sham equations for many-electron atoms confined by penetrable walls

Michael‐Adán Martínez‐Sánchez, Mariano Rodriguez‐Bautista, Rubicelia Vargas et al. · Theoretical Chemistry Accounts · 2016 · 27 citations

Quantum Science, Engineering, Physics +10

Coordination numbers in hydrated Cu(II) ions

Alejandra Monjaraz-Rodríguez, Mariano Rodriguez‐Bautista, Jorge Garza et al. · Journal of Molecular Modeling · 2018 · 15 citations

Inorganic Chemistry, Coordination Complex, Chemistry +3