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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

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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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What this paper is about

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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Available 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.

Key concepts: Diatomic molecule, Atomic physics, Alkali metal, Ground state, Chemistry, Range (aeronautics), Ionization, Ionization energy

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