Natural population analysis
A method of ‘‘natural population analysis’’ has been developed to calculate atomic charges and orbital populations of molecular wave functions in general atomic orbital basis se...
Publications
2 shownNatural bond orbital analysis of near-Hartree–Fock water dimer
We have carried out a natural bond orbital analysis of hydrogen bonding in the water dimer for the near-Hartree–Fock wave function of Popkie, Kistenmacher, and Clementi, extendi...
Frequent Co-Authors
Researcher Info
- h-index
- 2
- Publications
- 2
- Citations
- 12,567
- Institution
- University of Wisconsin–Madison
External Links
Impact Metrics
h-index
2
h-index: Number of publications with at least h citations each.