화학공학소재연구정보센터
Journal of Chemical Physics, Vol.108, No.3, 1063-1067, 1998
Molecular integrals over real solid spherical Gaussian-type functions
Compact formulas are derived of molecular energy integrals over real solid spherical Gaussian-type functions using the Talmi transformation. A new method for calculating the Talmi coefficients is presented, which does not require angular-momentum algebra of 3j and 9j symbols.