INTERACTION OF Pi ELECTRONS.

Calculations on the ionization potentials of some substituted ethylenes, including the inner ionization potentials, are discussed and good agreement with experiment is found. An outline of the theory as applied to conjugated molecules in general is given and an application made to the spectrum of pyridine. A new form of orbital theory, the complex Hartree-Fock theory, is proposed which has many of the properties of the time-dependent Hartree-Fock theory but provides an energy which is a strict upper bound to the exact energy. The possibility of using discontinuous wavefunctions in connection with a new form of variation principle is illustrated by some calculations on the square well potential. Author