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2cr 2cr 2p orbital exponent 2pa 2pa 2pa 2pcr 2pcr 2pcr 2pcr 2po atomic orbitals atoms was taken C.C.J. Roothaan California Radiation Laboratory Chem combinations of Slater complete SCF computed dissociation energy correction for zero-point cr 2p cr orbital distance of uth electron distribution analysis electron from center experimental internuclear distance experimental total energy experimental value Faulkner MO Faulkner University full six-electron hamiltonian g u subtotals Harris and Melkanoff hybrid integrals infinitely heavy nucleus ionization potential iteration ith MO Jaunzemis Kotani LCAO form a.u. LCAO MO Study linear combinations MO treatment MO's Molecular Dissociation energy molecular quadrupole Mulliken number of electrons One-electron integrals orbital energy orthogonal Phys physical constants primitive symmetry orbitals Ruedenberg SCF LCAO MO SCF MO Scherr Schull separated lithium atoms Slater orbitals TABLE VIII-A two-electron University of California University of Chicago uth electron Valence bond VIII-B wave function zero-point energy