TY - JOUR
T1 - Screened multipole electrostatic interactions at the Debye-Hückel level
AU - Tsonchev, Stefan
AU - Schatz, George C.
AU - Ratner, Mark A.
PY - 2004/12/11
Y1 - 2004/12/11
N2 - 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.
AB - 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.
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U2 - 10.1016/j.cplett.2004.10.112
DO - 10.1016/j.cplett.2004.10.112
M3 - Article
AN - SCOPUS:9644301028
SN - 0009-2614
VL - 400
SP - 221
EP - 225
JO - Chemical Physics Letters
JF - Chemical Physics Letters
IS - 1-3
ER -