Analysis of long range dispersion and exchange interactions between two K atoms

Warren T. Zemke; Chin Chun Tsai; William C. Stwalley

doi:10.1063/1.467918

Analysis of long range dispersion and exchange interactions between two K atoms

Warren T. Zemke, Chin Chun Tsai, William C. Stwalley

Department of Physics

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24 Citations (Scopus)

Abstract

This paper critically surveys the best available spectroscopic data for the two lowest electronic states (X ¹Σ_g⁺ and a ³Σ_u⁺) of K₂. Since both states are known up to dissociation, they can be used to determine Coulomb and exchange contributions to the intermediate and long range interaction potentials. The multipolar expansion representation of the Coulomb (dispersion) energy at long range (- Σ_nC_nR^-n) and the exponential representation of the exchange energy (Ae^-αR) as well as a variety of theoretical calculations are compared with these empirical results. Finally, dissociation energy values are discussed and improved dissociation energies for the X ¹Σ_g⁺ (D_e = 4449.1±1.0 cm^-1) and the a ³Σ_u⁺ state (D_e = 252.9±1.1 cm^-1) proposed.

Original language	English
Pages (from-to)	10382-10387
Number of pages	6
Journal	The Journal of Chemical Physics
Volume	101
Issue number	12
DOIs	https://doi.org/10.1063/1.467918
Publication status	Published - 1994

All Science Journal Classification (ASJC) codes

General Physics and Astronomy
Physical and Theoretical Chemistry

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title = "Analysis of long range dispersion and exchange interactions between two K atoms",

abstract = "This paper critically surveys the best available spectroscopic data for the two lowest electronic states (X 1Σg+ and a 3Σu+) of K2. Since both states are known up to dissociation, they can be used to determine Coulomb and exchange contributions to the intermediate and long range interaction potentials. The multipolar expansion representation of the Coulomb (dispersion) energy at long range (- ΣnCnR-n) and the exponential representation of the exchange energy (Ae-αR) as well as a variety of theoretical calculations are compared with these empirical results. Finally, dissociation energy values are discussed and improved dissociation energies for the X 1Σg+ (De = 4449.1±1.0 cm-1) and the a 3Σu+ state (De = 252.9±1.1 cm-1) proposed.",

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AU - Zemke, Warren T.

AU - Tsai, Chin Chun

AU - Stwalley, William C.

PY - 1994

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N2 - This paper critically surveys the best available spectroscopic data for the two lowest electronic states (X 1Σg+ and a 3Σu+) of K2. Since both states are known up to dissociation, they can be used to determine Coulomb and exchange contributions to the intermediate and long range interaction potentials. The multipolar expansion representation of the Coulomb (dispersion) energy at long range (- ΣnCnR-n) and the exponential representation of the exchange energy (Ae-αR) as well as a variety of theoretical calculations are compared with these empirical results. Finally, dissociation energy values are discussed and improved dissociation energies for the X 1Σg+ (De = 4449.1±1.0 cm-1) and the a 3Σu+ state (De = 252.9±1.1 cm-1) proposed.

AB - This paper critically surveys the best available spectroscopic data for the two lowest electronic states (X 1Σg+ and a 3Σu+) of K2. Since both states are known up to dissociation, they can be used to determine Coulomb and exchange contributions to the intermediate and long range interaction potentials. The multipolar expansion representation of the Coulomb (dispersion) energy at long range (- ΣnCnR-n) and the exponential representation of the exchange energy (Ae-αR) as well as a variety of theoretical calculations are compared with these empirical results. Finally, dissociation energy values are discussed and improved dissociation energies for the X 1Σg+ (De = 4449.1±1.0 cm-1) and the a 3Σu+ state (De = 252.9±1.1 cm-1) proposed.

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Analysis of long range dispersion and exchange interactions between two K atoms

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