Published May 8, 2004 | Version v1
Journal article

Finite-size scaling for critical conditions for stable quadrupole-bound anions

  • 1. Department of Chemistry, Purdue University, West Lafayette, Indiana 47907 (United States)
  • 2. Facultad de Matematica, Astronomia y Fisica, Universidad Nacional de Cordoba, Ciudad Universitaria, 5000 Cordoba (Argentina)

Description

We present finite-size scaling calculations of the critical parameters for binding an electron to a finite linear quadrupole field. This approach gives very accurate results for the critical parameters by using a systematic expansion in a finite basis set. The model Hamiltonian consists of a charge Q located at the origin of the coordinates and k charges -Q/k located at distances R-vectori, i=1,...,k. After proper scaling of distances and energies, the rescaled Hamiltonian depends only on one free parameter q=QR. Two different linear charge configurations with q>0 and q<0 are studied using basis sets in both spherical and prolate spheroidal coordinates. For the case with q>0, the finite size scaling calculations give an extrapolated critical value of qc=1.469 70±0.000 05 a.u. by using a basis set with prolate spheroidal coordinates. For the quadrupole case with q<0, we obtained an extrapolated critical value of |qc|=3.982 51±0.000 01 a.u. for stable quadrupole bound anions. The corresponding critical exponent for the ground state energy α=1.9964±0.0005, with E∼(q-qc)α

Additional details

Identifiers

Publishing Information

Journal Title
Journal of Chemical Physics
Journal Volume
120
Journal Issue
18
Journal Page Range
p. 8412-8419
ISSN
0021-9606
CODEN
JCPSA6

INIS

Optional Information

Notes
(c) 2004 American Institute of Physics.