A method named for the fragment type of these structures uses energy decomposition analysis and Møller–Plesset perturbation theory for efficient calculation. Repulsion in these structures is described by the Klopman–Salem equation. To approximate wave functions of these structures, the Hartree–Fock method uses the overlap integral between Gaussian basis functions. Depending on their behavior under inversion, these structures are categorized as (*) “gerade” or “ungerade.” The “frontier” theory of these structures examines their “highest occupied” and “lowest unoccupied” examples. Electrons generally occupy the “bonding” variety of these structures before their “antibonding” variety. Sigma and pi-star are examples of, for 10 points, what structures classically formed from the linear combination of atomic orbitals? ■END■
ANSWER: molecular orbitals [or MOs; accept fragment molecular orbital method or FMO method; accept HOMO or LUMO; prompt on orbitals; reject “atomic orbitals” or “AOs”]
<CT, Chemistry>
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