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

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

Research output: Contribution to journalArticle

23 Citations (Scopus)

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.

Original languageEnglish
Pages (from-to)10382-10387
Number of pages6
JournalThe Journal of Chemical Physics
Volume101
Issue number12
DOIs
Publication statusPublished - 1994 Jan 1

Fingerprint

Exchange interactions
dissociation
Atoms
atoms
Electronic states
interactions
energy
energy transfer
expansion
electronics

All Science Journal Classification (ASJC) codes

  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry

Cite this

Zemke, Warren T. ; Tsai, Chin-Chun ; Stwalley, William C. / Analysis of long range dispersion and exchange interactions between two K atoms. In: The Journal of Chemical Physics. 1994 ; Vol. 101, No. 12. pp. 10382-10387.
@article{65ff27c0191a461b9488df5f57508ec5,
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.",
author = "Zemke, {Warren T.} and Chin-Chun Tsai and Stwalley, {William C.}",
year = "1994",
month = "1",
day = "1",
doi = "10.1063/1.467918",
language = "English",
volume = "101",
pages = "10382--10387",
journal = "Journal of Chemical Physics",
issn = "0021-9606",
publisher = "American Institute of Physics Publising LLC",
number = "12",

}

Analysis of long range dispersion and exchange interactions between two K atoms. / Zemke, Warren T.; Tsai, Chin-Chun; Stwalley, William C.

In: The Journal of Chemical Physics, Vol. 101, No. 12, 01.01.1994, p. 10382-10387.

Research output: Contribution to journalArticle

TY - JOUR

T1 - Analysis of long range dispersion and exchange interactions between two K atoms

AU - Zemke, Warren T.

AU - Tsai, Chin-Chun

AU - Stwalley, William C.

PY - 1994/1/1

Y1 - 1994/1/1

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.

UR - http://www.scopus.com/inward/record.url?scp=0001112772&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=0001112772&partnerID=8YFLogxK

U2 - 10.1063/1.467918

DO - 10.1063/1.467918

M3 - Article

VL - 101

SP - 10382

EP - 10387

JO - Journal of Chemical Physics

JF - Journal of Chemical Physics

SN - 0021-9606

IS - 12

ER -