机译:Scale-free-modeling (harmonic) vibrational frequencies: Assessing accuracy and cost-effectiveness by CBS extrapolation
Qufu Normal Univ;
BASIS-SET CONVERGENCE; GAUSSIAN-BASIS SETS; CORRELATED MOLECULAR CALCULATIONS; PLESSET PERTURBATION-THEORY; TOTAL ATOMIZATION ENERGIES; ANHARMONIC-FORCE FIELD; SELF-CONSISTENT-FIELD; AB-INITIO LIMIT; WAVE-FUNCTIONS; HARTREE-FOCK;