Palavra-chave: BASIS SET

LINEAR RESPONSE THEORY DENSITY FUNCTIONAL THEORY PSEUDOPOTENTIAL HARTREE-FOCK-ROOTHAAN EFFECTIVE CORE POTENTIAL AB INITIO VAN DER WAALS ENTHALPY OF FORMATION ESPECTROSCOPIA GENERATOR COORDINATE METHOD COUPLED CLUSTER INFRARED FUNDAMENTAL INTENSITIES ELECTRONIC STRUCTURE INTEGRAL TRANSFORM STRUCTURAL STABILITY QUADRATIC CONFIGURATION INTERACTION G3(MP2)//B3-CEP TIN AND ANTIMONY COMPOUNDS COMPOSITE METHODS RAMAN SPECTROSCOPY MOLLER-PLESSET PERTURBATION POLYCARBONITRILE