G. Lie

发表

Molecular dynamics of the bromochlorofluoromethanes in a right circularly polarized field

E. Clementi, M. W. Evans, G. Lie, 1988 .

Molecular Dynamics Simulations of Fluid Flows

E. Clementi, E. Clementi, D. K. Bhattacharya, 1990 .

Theoretical integrated intensities for the 2ν2 and 2ν2-ν2 bands of HCN and DCN

S. Peyerimhoff, R. Buenker, G. Lie, 1982 .

Valence excited states of CH. II. Properties

Bowen Liu, G. Lie, J. Hinze, 1973 .

Gaussian functions in hylleraas‐CI calculations. I. Ground state energies for H2, HeH+, and H+3

E. Clementi, J. Liévin, G. Lie, 1988 .

Theoretical infrared transition matrix elements for the water molecule

G. Lie, W. Luh, 1979 .

Elastic Form Factors for Neutral Atoms

G. Lie, 1977 .

The Hylleraas–CI integrals in molecular, calculations. II. Three-and four-electron integrals and tests for two-electron many-center integrals

E. Clementi, G. Lie, C. Urdaneta, 1987 .

MCSCF wavefunctions for the a 1Δg and b 1Σ+g states of O2

G. Lie, 1978 .

Gaussian functions in Hylleraas‐configuration interaction calculations: Potential curves for the e 3∑+u and the f 3∑+u states of hydrogen

E. Clementi, G. Lie, D. Frye, 1990 .

HYCOIN: Hylleraas Configuration Interaction Method Using Gaussian Functions

E. Clementi, G. Lie, S. Chakravorty, 1989 .

Gaussian functions in Hylleraas‐configuration interaction calculations. III. Wave functions for the X 1ξ+g state of hydrogen

E. Clementi, G. Lie, D. Frye, 1989 .

Ab initio pair potentials for the ionic lithium-formate system

E. Clementi, K. Hermansson, G. Lie, 1988 .

Valence Excited States of CH. 111. Radiative Lifetimes

Bowen Liu, G. Lie, J. Hinze, 1975 .

Nonlinear effects in molecular dynamics of water: large sample computer simulation of rise and fall transients

E. Clementi, M. W. Evans, G. Lie, 1988 .

VALENCE EXCITED STATES OF CH

Bowen Liu, G. Lie, J. Hinze, 1973 .

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

E. Clementi, H. Kistenmacher, G. Lie, 1974 .

Poly(alkyl/aryloxothiazenes): inorganic polymers with a sulfur(VI)-nitrogen backbone. Synthesis, characterization, and theoretical calculations

S. Grigoras, G. Lie, G. Burns, 1993 .

Anab initio pair potential for the interaction between a water molecule and a formate ion

E. Clementi, K. Hermansson, G. Lie, 1988 .

Nonadditivity of interaction in water trimers

E. Clementi, G. Lie, W. Kołos, 1980 .

Supercomputing and supercomputers for science and engineering in general and for chemistry and biosciences in particular

E. Clementi, M. Dupuis, V. Sonnad, 1989 .

Molecular dynamics of liquid water in a circularly polarized external field

E. Clementi, M. Evans, G. Lie, 1987 .

Revisiting small clusters of water molecules

E. Clementi, M. Dupuis, G. Lie, 1986 .

Computer Simulation of the Structures and Cross Correlation Functions of Spherical-top Molecules in the Liquid State

E. Clementi, K. Swamy, Evans Mw, 1988 .

Global Ab Initio Simulations: Study of A Liquid As An Example

E. Clementi, M. Wojcik, D. Rapaport, 1986 .

Vibrational analysis of a Hylleraas‐configuration interaction potential for H+3

G. Lie, D. Frye, 1992 .

Valence excited states of CH. I. Potential curves

Bowen Liu, G. Lie, J. Hinze, 1973 .

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

Enrico Clementi, E. Clementi, G. Lie, 1974 .

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

E. Clementi, E. Clementi, M. Yoshimine, 1976 .

The effect of molecular vibrations on calculated second virial coefficients

E. Clementi, K. Refson, G. Lie, 1987 .

Theoretical dipole derivatives for HCN and DCN

S. Peyerimhoff, R. Buenker, G. Lie, 1981 .

Determination of the self-diffusion coefficient of water in ferrierite by molecular dynamics

E. Clementi, E. Derouane, L. Leherte, 1988 .

Monte Carlo and Molecular Dynamics Simulations

E. Clementi, P. Procacci, G. Lie, 1989 .

Study of the structure of molecular complexes. XII. Structure of liquid water obtained by Monte Carlo simulation with the Hartree–Fock potential corrected by inclusion of dispersion forces

E. Clementi, G. Lie, 1975 .

Calculated a4Σ−, A2Δ, B2Σ− States of CH

Bowen Liu, G. Lie, J. Hinze, 1972 .

Gaussian functions in Hylleraas‐configuration interaction calculations. V. An accurate abinitio H+3 potential‐energy surface

E. Clementi, G. Lie, D. Frye, 1990 .

Elastic electron scattering by N2(1Σg+) in the first Born approximation

G. Lie, J. Liu, B. Liu, 1987 .

Study of the electronic structure of molecules. XXII. Correlation energy corrections as a functional of the Hartree‐Fock type density and its application to the homonuclear diatomic molecules of the second row atoms

Enrico Clementi, E. Clementi, G. Lie, 1974 .

Monte Carlo study of free energy of hydration for Li+, Na+, K+, F−, and Cl− with ab initio potentials

Michele Migliore, Enrico Clementi, Giorgina Corongiu, 1988 .

Study of the theoretical dipole moment function and infrared transition matrix for the X1Σ+ state of the HF molecule

G. Lie, 1974 .

Molecular dynamics simulation of water from 10 to 1273 K

E. Clementi, M. Evans, G. Lie, 1988 .

Molecular dynamics simulation of direct laboratory frame cross correlations in spherical, plate‐like, and rod‐like molecules

E. Clementi, M. Evans, G. Lie, 1988 .

Parallel Computing from Fermion Systems to Hydrodynamics: Water as an Example

E. Clementi, M. Mansour, M. Wojcik, 1986 .

Poly(alkyl/aryloxothiazenes), [N=S(O)R]n: New Direction in Inorganic Polymers

S. Grigoras, G. Lie, A. K. Roy, 1994 .

LCAP: Loosely Coupled Array of Processors Parallel Processing Software

Vijay Sonnad, D. Logan, S. Chin, 1990 .

Study of the electronic structure of molecules XXII. Additional ab initio computations for the barrier to internal rotation in polynucleotide chains

E. Clementi, G. Lie, 1974 .

Consistency check for radial distribution functions of water

G. Lie, 1986 .

Monte Carlo simulation of the liquid-vapor interface of water using an ab initio potential

A. D. McLean, S. Grigoras, L. Dang, 1993 .

The discovery and classification of new laboratory frame cross correlation functions

E. Clementi, M. Evans, G. Lie, 1988 .

Molecular dynamics computer simulation of the rod-like molecule methyl hexa-tri-yne: comparison with Doi/Edwards and Frenkel/Maguire theories

E. Clementi, M. Evans, G. Lie, 1988 .

Molecular dynamics simulation of liquid and gaseous hydrogen selenide: Cross correlation functions

E. Clementi, M. Evans, G. Lie, 1988 .

A molecular dynamics simulation of rotational flow induced by a left circularly polarized high-energy infrared laser field

E. Clementi, M. W. Evans, G. Lie, 1987 .

Translational anisotropy induced by a circularly polarised laser field applied to liquid water

E. Clementi, M. Evans, G. Lie, 1989 .

Molecular dynamics simulation of flow past a plate

Enrico Clementi, E. Clementi, L. Hannon, 1986 .

Calculation of the second virial coefficients for water using a recent ''ab initio'' potential

E. Clementi, G. Lie, 1976 .

Study of the structure of molecular complexes. X. Dipole moment surface for the lithium–fluoride–water complex

J. W. Kress, E. Clementi, G. Lie, 1975 .

Theoretical Incoherent Scattering Functions for Photons Scattered by Atoms and K-Shell Electrons

G. Lie, 1981 .

Calculation of the third virial coefficients for water using ab initio two-body and three-body potentials

E. Clementi, G. Lie, G. Corongiu, 1985 .

Numerical integration of the fluctuating hydrodynamic equations

Alejandro L. Garcia, M. Mansour, G. Lie, 1987 .

Hydrodynamic Fluctuations in a Fluid under Constant Shear

Michel Mareschal, E. Clementi, E. Clementi, 1987 .

Effects of Long-Range Interactions in Zeolites-Like Systems: Dynamical Behavior of Water in Ferrierite From Molecular Dynamics Simulation

E. Clementi, E. Derouane, D. P. Vercauteren, 1989 .

Molecular-dynamics simulation of liquid water with an ab initio flexible water-water interaction potential. II. The effect of internal vibrations on the time correlation functions.

Evans, Swamy, Lie, 1987, Physical review. A, General physics.

Hydrodynamic fluctuations in a dilute gas under shear.

Mansour, Garcia, García, 1987, Physical review. A, General physics.