Journal of Chemical Physics, Vol.102, No.2, 888-897, 1995
2nd-Order Correlation-Energy for H2O Using Explicitly Correlated Gaussian Geminals
Keywords:MOLECULAR CORRELATION ENERGIES;CLOSED-SHELL ATOMS;PLESSET MP2-R12 CALCULATIONS;ADAPTED PAIR FUNCTIONS;WAVE-FUNCTIONS;CORRELATION CUSP;GROUND-STATE;PERTURBATION TREATMENT;CONFIGURATIONS METHOD;DIATOMIC-MOLECULES