Robert J. Gdanitz

The averaged coupled-pair functional (ACPF): A size-extensive modification of MR CI(SD)

Robert J. Gdanitz, Reinhart Ahlrichs · Chemical Physics Letters · 1988 · 879 citations

Physics, Mr Ci, Size-extensive Modification +6

A critical note on density functional theory studies on rare-gas dimers

Tanja van Mourik, Robert J. Gdanitz · The Journal of Chemical Physics · 2002 · 242 citations

Engineering, Computational Chemistry, Chemistry +16

<i>Ab Initio</i> prediction of possible crystal structures for general organic molecules

Heinrich R. Karfunkel, Robert J. Gdanitz · Journal of Computational Chemistry · 1992 · 210 citations

Crystal Structure, Engineering, General Organic Molecules +16

Accurately solving the electronic Schrödinger equation of atoms and molecules using explicitly correlated (r12-)MR-CI: the ground state potential energy curve of N2

Robert J. Gdanitz · Chemical Physics Letters · 1998 · 92 citations

Quantum Dynamic, Quantum Science, Excited State Property +12

Prediction of molecular crystal structures by Monte Carlo simulated annealing without reference to diffraction data

Robert J. Gdanitz · Chemical Physics Letters · 1992 · 84 citations

Engineering, Physics, Simulated Annealing +11