Matrix elements for operators for physical quantities in one-configuration functions of radicals

Some basis vectors are constructed for singly and doubly excited configurations of molecules and radicals for the method of configuration interaction in the second-quantization representation. The matrix elements of the Hamiltonian are derived for these. A method is given for calculating bond orders, transition moments, spin densities, and electron densities on atoms in the configuration-interaction method. An analog of Brillouin's theorem is obtained for radicals.Read at the II-nd Ukranian Republic Symposium on Quantum Chemistry. (Kiev, Dec. 1968).