A generalized higher order kernel energy
β
Stewart N. Weiss; Lulu Huang; Lou Massa
π
Article
π
2010
π
John Wiley and Sons
π
English
β 185 KB
## Abstract We present a general mathematical model that can be used to improve almost all fragmentβbased methods for __ab initio__ calculation of total molecular energy. Fragmentβbased methods of computing total molecular energy mathematically decompose a molecule into smaller fragments, quantumβm