Ron Shepard

Search for stationary points on surfaces

Ajit Banerjee, Noah P. Adams, Jack Simons et al. · The Journal of Physical Chemistry · 1985 · 823 citations

Mathematical Programming, Engineering, Geometry +20

High-level multireference methods in the quantum-chemistry program system COLUMBUS: Analytic MR-CISD and MR-AQCC gradients and MR-AQCC-LRT for excited states, GUGA spin–orbit CI and parallel CI density

Hans Lischka, Ron Shepard, Russell M. Pitzer et al. · Physical Chemistry Chemical Physics · 2001 · 429 citations

Engineering, Spin Systems, Magnetic Resonance +20

A progress report on the status of the COLUMBUSMRCI program system

Ron Shepard, Isaiah Shavitt, Russell M. Pitzer et al. · International Journal of Quantum Chemistry · 1988 · 358 citations

Analytic evaluation of nonadiabatic coupling terms at the MR-CI level. I. Formalism

Hans Lischka, Michal Dallos, Péter G. Szalay et al. · The Journal of Chemical Physics · 2004 · 311 citations

Numerical Analysis, Analytic Energy Gradients, Engineering +15

The OpenMolcas <i>Web</i> : A Community-Driven Approach to Advancing Computational Chemistry

Giovanni Li Manni, Ignacio Fdez. Galván, Ali Alavi et al. · Journal of Chemical Theory and Computation · 2023 · 286 citations · Full text