DENSITY-FUNCTIONAL THEORY; POTENTIAL-ENERGY SURFACE; GAUSSIAN-BASIS SETS; SELF-INTERACTION CORRECTION; LINEAR SCALING COMPUTATION; CORRELATED WAVE-FUNCTIONS; MOLECULAR-ORBITAL METHODS; MANY-ELECTRON SYSTEMS; AB-INITIO; FITTING APPROXIMATIONS
JOURNAL OF COMPUTATIONAL CHEMISTRY, v.28, no.5, pp.839 - 856
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