G. C. Lie

Study of the electronic structure of molecules. XXI. Correlation energy corrections as a functional of the Hartree-Fock density and its application to the hydrides of the second row atoms

G. C. Lie, E. Clementi · The Journal of Chemical Physics · 1974 · 439 citations

Natural Sciences, Chemistry, Physics +17

Revisiting small clusters of water molecules

Kwang S. Kim, Michel Dupuis, G. C. Lie et al. · Chemical Physics Letters · 1986 · 305 citations

Natural Sciences, Chemistry, Physics +9

Study of the structure of molecular complexes. XIII. Monte Carlo simulation of liquid water with a configuration interaction pair potential

G. C. Lie, E. Clementi, M. Yoshimine · The Journal of Chemical Physics · 1976 · 294 citations

Natural Sciences, Chemistry, Physics +17

Study of the structure of molecular complexes. VI. Dimers and small clusters of water molecules in the Hartree-Fock approximation

H. Kistenmacher, G. C. Lie, Herbert E. Popkie et al. · The Journal of Chemical Physics · 1974 · 242 citations

Natural Sciences, Chemistry, Physics +17

Molecular-dynamics simulation of liquid water with an<i>ab initio</i>flexible water-water interaction potential

G. C. Lie, E. Clementi · Physical review. A, General physics · 1986 · 230 citations

Natural Sciences, Chemistry, Physics +17