%0 Journal Article
%J Journal of Chemical Physics
%D 2008
%T Correlation energy and dispersion interaction in the ab initio potential energy curve of the neon dimer
%A Bytautas, L.
%A Ruedenberg, K.
%K ACCURATE CALCULATION
%K BENCHMARK CALCULATIONS
%K DIMER
%K electronic-structure
%K HELIUM
%K intermolecular interactions
%K MOLECULAR
%K monte-carlo simulations
%K RARE-GAS DIMERS
%K SET SUPERPOSITION ERROR
%K THERMOPHYSICAL PROPERTIES
%K wave-functions
%M ISI:000256527500016
%P 214308
%R 10.1063/1.2927302
%V 128
%X A close approximation to the empirical potential energy curve of the neon dimer is obtained by coupled-cluster singles plus doubles plus noniterative triples calculations by using nonaugmented correlation-consistent basis sets without counterpoise corrections and complementing them by three-term extrapolations to the complete basis set limit. The potential energy is resolved into a self-consistent-field Hartree-Fock contribution and a correlation contribution. The latter is shown to decay in the long-range region in accordance with the empirical dispersion expansion. (c) 2008 American Institute of Physics.
%8 06
%9 Article
%@ 0021-9606