Molecular orbital

In quantum chemistry, the molecular electronic states, i.e. the eigenstates of the electronic molecular Hamiltonian, are expanded (see configuration interaction expansion and basis) into linear combinations of anti-symmetrized products (Slater determinants) of one-electron functions. The spatial components of these one-electron functions are called molecular orbitals. (When one considers also their spin component, one speaks of molecular spin orbitals.)

Related Topics:
Quantum chemistry - States - Eigenstate - Electronic molecular Hamiltonian - Configuration interaction - Basis - Linear combination - Slater determinant - Electron - Spin

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