Screened multipole electrostatic interactions at the Debye-Hückel level

Stefan Tsonchev, George C Schatz, Mark A Ratner

Research output: Contribution to journalArticle

5 Citations (Scopus)

Abstract

We present the multipole Taylor series expansion of the Debye-Hückel potential exp(-R/κ)/R for screened electrostatic interactions, where R is the separation distance and κ is the Debye length. Based on that expansion we derive the expressions for the electrostatic field and interaction energy in the cases of charge-dipole, dipole-dipole, and quadrupole-dipole interactions. The results are compared with a recent expansion of the same potential based on modified spherical Bessel functions [A. Boschitsch, M.O. Fenley, W. Olson, J. Comput. Phys. 151 (1999) 212]. Some examples illustrating the limits of validity of the derived formulae are presented, and their possible applications are discussed.

Original languageEnglish
Pages (from-to)221-225
Number of pages5
JournalChemical Physics Letters
Volume400
Issue number1-3
DOIs
Publication statusPublished - Dec 11 2004

Fingerprint

Coulomb interactions
multipoles
electrostatics
dipoles
Bessel functions
Taylor series
interactions
expansion
Debye length
series expansion
Electric fields
quadrupoles
electric fields
energy

ASJC Scopus subject areas

  • Physical and Theoretical Chemistry
  • Spectroscopy
  • Atomic and Molecular Physics, and Optics

Cite this

Screened multipole electrostatic interactions at the Debye-Hückel level. / Tsonchev, Stefan; Schatz, George C; Ratner, Mark A.

In: Chemical Physics Letters, Vol. 400, No. 1-3, 11.12.2004, p. 221-225.

Research output: Contribution to journalArticle

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