Marcos Casarrubios

<i>Ab initio</i> model potential calculations on the electronic spectrum of Ni2+-doped MgO including correlation, spin–orbit and embedding effects

Rosa Llusar, Marcos Casarrubios, Zoila Barandiarán et al. · The Journal of Chemical Physics · 1996 · 146 citations

Natural Sciences, Materials Science, Physics +17

The <i>ab initio</i> model potential method: Third-series transition metal elements

Marcos Casarrubios, Luis Seijo · The Journal of Chemical Physics · 1999 · 60 citations · Full text

Natural Sciences, Chemistry, Physics +15

The ab initio model potential method. Relativistic Wood-Boring valence spin-orbit potentials and spin-orbit-corrected basis sets from B(Z = 5) to Ba(Z = 56)

Marcos Casarrubios, Luis Seijo · Journal of Molecular Structure THEOCHEM · 1998 · 17 citations

Natural Sciences, Chemistry, Physics +14

<i>Ab initio</i> spin-free-state-shifted spin-orbit configuration interaction calculations on singly ionized iridium

Frank Rakowitz, Marcos Casarrubios, Luis Seijo et al. · The Journal of Chemical Physics · 1998 · 14 citations · Full text

Natural Sciences, Chemistry, Physics +12

Relativistic Wood-Boring ab initio model potential calculations on the platinum atom

Marcos Casarrubios, Luis Seijo · Chemical Physics Letters · 1995 · 12 citations

Natural Sciences, Chemistry, Physics +12