Now showing items 1-1 of 1

  • Optimization of the valence energy variance of the CuH molecule 

    Belohorec, Peter. (Brock University, 1992-07-09)
    We developed the concept of split-'t to deal with the large molecules (in terms of the number of electrons and nuclear charge Z). This naturally leads to partitioning the local energy into components due to each ...