Electron orbitals {molecular orbital} can be for whole molecule.
Analyses {ab initio analysis} can use all electrons.
Adding atomic orbitals can approximate molecular orbitals {linear combinations of atomic orbitals} (LCAO).
Semiempiric methods {perturbative configuration interaction using localized orbitals} (PCILO) can use perturbations.
Analyses {semiempiric} can use valence electrons and parameterize core electrons.
Sigma electrons can contribute {simple delta index, drug}.
5-Chemistry-Biochemistry-Drug-Activity-Methods
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Date Modified: 2022.0225