Molecular structural formulas as one-electron density and hamiltonian operators: the VIF method extended.

  • Joseph Alia
  • Published 2007 in The journal of physical chemistry. A


The valency interaction formula (VIF) method is given a broader and more general interpretation in which these simple molecular structural formulas implicitly include all overlaps between valence atomic orbitals even for interactions not drawn in the VIF picture. This applies for VIF pictures as one-electron Hamiltonian operators as well as VIF pictures as… (More)