Luis R. Kahn

<i>A</i> <i>b</i> <i>i</i> <i>n</i> <i>i</i> <i>t</i> <i>i</i> <i>o</i> effective core potentials: Reduction of all-electron molecular structure calculations to calculations involving only valence electrons

Luis R. Kahn, Paul Baybutt, Donald G. Truhlar · The Journal of Chemical Physics · 1976 · 454 citations

Electron Density, Engineering, Physics +13

<i>Ab Initio</i> Effective Potentials for Use in Molecular Calculations

Luis R. Kahn, William A. Goddard · The Journal of Chemical Physics · 1972 · 147 citations

Engineering, Core Orbitals, Physics +12

<i>A</i> <i>b</i> <i>i</i> <i>n</i> <i>i</i> <i>t</i> <i>i</i> <i>o</i> studies of AuH, AuCl, HgH and HgCl2 using relativistic effective core potentials

P. Jeffrey Hay, Willard R. Wadt, Luis R. Kahn et al. · The Journal of Chemical Physics · 1978 · 147 citations

Engineering, Nuclear Physics, Theoretical Inorganic Chemistry +18

Theoretical study of curve crossing: <i>ab initio</i> calculations on the four lowest 1Σ+ states of LiF

Luis R. Kahn, P. Jeffrey Hay, Isaiah Shavitt · The Journal of Chemical Physics · 1974 · 126 citations

Theoretical Study, Curve Crossing, Physics +14

Relativistic effects in <i>a</i> <i>b</i> <i>i</i> <i>n</i> <i>i</i> <i>t</i> <i>i</i> <i>o</i> effective core potentials for molecular calculations. Applications to the uranium atom

Luis R. Kahn, P. Jeffrey Hay, Robert D. Cowan · The Journal of Chemical Physics · 1978 · 122 citations

Engineering, Nuclear Physics, Computational Chemistry +21