Extending one theory for calculating these things involves approximating off-diagonal Hamiltonian elements with an equation named for Wolfsberg and Helmholtz. Coefficients used to describe them can be calculated with the secular equations which include terms for the Coulomb integral and resonance integral. Calculating their energy when more than two molecules are involved is aided by SALCs. Whether the phase of these constructs stays the same under inversion determines whether they are (*) gerade or ungerade. These constructs, which correctly predict the paramagnetism of oxygen, can be expressed as a linear combinatio
Extending one theory for calculating these things involves approximating off-diagonal Hamiltonian elements with an equation named for Wolfsberg and Helmholtz. Coefficients used to describe them can be calculated with the secular equations which include terms for the Coulomb integral and resonance integral. Calculating their energy when more than two molecules are involved is aided by SALCs. Whether the phase of these constructs stays the same under inversion determines whether they are (*) gerade or ungerade. These constructs, which correctly predict the paramagnetism of oxygen, can be expressed as a linear combination of similar, simpler constructs. Ones with a node between two molecules are denoted by a star; those ones are antibonding and have a higher energy than bonding ones. For 10 points, name these representations of the behaviour of an electron within a molecule
Extending one theory for calculating these things involves approximating off-diagonal Hamiltonian elements with an equation named for Wolfsberg and Helmholtz.
molecular orbitals [or MO; prompt on "orbitals"; prompt on "molecules" until "secular"]