Quantum Mechanics of Mobile Electrons in Conjugated Bond Systems. IV. Integral Formulas

Publisher Website
Google Scholar
Abstract
Formulas are established for all carbon and hydrogen penetration integrals occurring in the tight‐binding approximation of the theory of mobile electrons. The orbital exponents of the penetrated shielding orbitals may differ from the orbital exponent of the penetrating 2pπ electrons. A simple correlation between kinetic energy integral and overlap integral is found.