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2 THE FREE ELECTRON
The Particle in a Box
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allows angular momentum antisymmetric AO's Appendix application approximation arbitrary assume atomic orbitals axis behavior benzene Bloch functions bond calculation classical classical mechanics coefficients compatible components configuration consider constant coordinates corresponding defined density determined diagram diatomic molecule distribution eigenfunctions eigenvalue electron energy levels equal ethylene example expansion expression factor Figure given gives gotten hamiltonian hybridization hydrogen implies integral interaction introduced kinetic energy lattice lattice multiple leads limit ourselves linear combination many-electron matrix elements mean value method molecular orbitals multiple non-degenerate normalization condition notation nuclei obtained one-electron operator order perturbation orthogonal parameter particle Pauli principle permutation polynomial possible potential energy preceding problem quantum mechanics quantum number relation represents result rotor satisfy Schrodinger equation shows singlet Slater solution spherical functions symmetry term theorem tion transition treated variables variation vector velocity virial theorem wave function wave mechanics write written zero