Seidl, M. and Brack, M. (1996) Liquid drop model for charged spherical metal clusters. ANNALS OF PHYSICS, 245 (2). pp. 275-310. ISSN 0003-4916, 1096-035X
Full text not available from this repository.Abstract
The average ground-state energy of a charged spherical metal cluster with N atoms and z excessive valence electrons, i.e., with net charge Q = -ez and radius R = r(s)N(1/3), is presented in the liquid drop model (LDM) expansion E(N, z) = a(v)N+a(s)N(2/3)+a(c)N(1/3)+a(0)(z)+a(-1)(z)N--1/3+O(N--2/3). We derive analytical expressions for the leading LDM coefficients a(v) a(s), a(c), and, in particular, for the charge dependence of the further LDM coefficients a(0) and a(-1), using the jellium model and density functional theory in the local density approximation. We obtain for the ionization energy I(R) = W+alpha(e(2)/R)+O(R(-2)), with the bulk work function W = [Phi(+infinity)-Phi(0)]-e(b), given first by Mahan and Schaich in terms of the electrostatic potential Phi and the bulk energy per electron e(b), and a new analytical expression for the dimensionless coefficient alpha. We demonstrate that within classical theory alpha = 1/2 but, in agreement with experimental information, alpha tends to similar to 0.4 if quantum-mechanical contributions are included. In order to test and confirm our analytical expressions, we discuss the numerical results of semiclassical density variational calculations in the extended Thomas-Fermi model. (C) 1996 Academic Press, Inc.
| Item Type: | Article |
|---|---|
| Uncontrolled Keywords: | SELF-CONSISTENT CALCULATION; JELLIUM-BACKGROUND MODEL; WORK FUNCTION; VARIATIONAL CALCULATION; IONIZATION-POTENTIALS; ELECTRON-AFFINITIES; STABILIZED-JELLIUM; SIZE DEPENDENCE; KINETIC-ENERGY; DENSITY |
| Subjects: | 500 Science > 530 Physics |
| Divisions: | Physics > Institute of Theroretical Physics > Alumni or Retired Professors > Group Matthias Brack |
| Depositing User: | Dr. Gernot Deinzer |
| Date Deposited: | 14 Nov 2023 07:40 |
| Last Modified: | 14 Nov 2023 07:40 |
| URI: | https://pred.uni-regensburg.de/id/eprint/51947 |
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