## Technical Report |

### What people are saying - Write a review

We haven't found any reviews in the usual places.

### Other editions - View all

### Common terms and phrases

agreement with experiment alternant hydrocarbon antisymmetric atomic orbitals atoms-in-molecules benzene symmetry beta function bond central orbital chemists coefficients Concerning Assumption configuration interaction core integrals described effects electron affinity electronegativity electronic energy electronic repulsion integrals electronic structure equal to zero function is due gamma function gives results essentially Goeppert-Mayer and Sklar Hamiltonian operator Hartree-Fock helium Huckel method ionization potential later linearly lone pair electron Lykos molecular orbitals Mulliken approximation N-heterocyclic naphthalene nuclear number of electrons obtained one-center orthonormal overlap integrals parameters Pariser Parr pi-electron approximation pi-electron Hamiltonian pi-electron repulsions pi-electron wave functions polyacenes pp|pp problem purely theoretical calculations Purely theoretical value quantum-mechanical references 24 resonance secular equation separated electron pair set equal sigma electron singlet Sklar method Slater determinants built Slater orbitals Slater-Condon rules spectra Table terms of Slater tion total energy total pi-electron total wave function treated two-center two-electron variation functions zero differential overlap