Analysis of exchange energy at long range for states of alkali diatomic molecules correlating to two ground state atoms
Warren T. Zemke, William C. Stwalley
Abstract
Warren T. Zemke, William C. Stwalley
Abstract
Recently experimentally-based asymptotic exchange energies ΔVE between ground state atoms in Li2, Na2, K2, and NaK have been determined from spectroscopically-determined potential energy curves. These empirical results are shown to be well fit by the expression −CRαe−βR of Smirnov and Chibisov, where C is a positive constant and α and β can be readily calculated from the atomic ionization energies. The expression should be useful for estimating the exchange energy in other alkali dimers.
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Recently experimentally-based asymptotic exchange energies ΔVE between ground state atoms in Li2, Na2, K2, and NaK have been determined from spectroscopically-determined potential energy curves. These empirical results are shown to be well fit by the expression −CRαe−βR of Smirnov and Chibisov, where C is a positive constant and α and β can be readily calculated from the atomic ionization energies. The expression should be useful for estimating the exchange energy in other alkali dimers.
Key concepts: Diatomic molecule, Atomic physics, Alkali metal, Ground state, Chemistry, Range (aeronautics), Ionization, Ionization energy