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 · 437 citations

Engineering, Computational Chemistry, Chemistry +17

Revisiting small clusters of water molecules

Kwang S. Kim, Michel Dupuis, G. C. Lie et al. · Chemical Physics Letters · 1986 · 303 citations

Cluster Science, Cluster Chemistry, Water Molecules +1

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

Engineering, Liquid-liquid Flow, Experimental Thermodynamics +22

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

Hartree-fock Approximation, Engineering, Physics +15

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 · 228 citations

Dipole Autocorrelation Function, Hydroelasticity, Engineering +13