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
- DOI
- 10.1063/1.1695552;
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
- Country of Publication
- United States
- Country of Input or Organization
- International Atomic Energy Agency (IAEA)
- INIS RN
- 36002642
- Subject category
- S74: ATOMIC AND MOLECULAR PHYSICS; S71: CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS; S37: INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY;
- Descriptors DEI
- ANIONS; ELECTRON ATTACHMENT; GROUND STATES; HAMILTONIANS; QUANTUM MECHANICS
- Descriptors DEC
- CHARGED PARTICLES; ENERGY LEVELS; IONS; MATHEMATICAL OPERATORS; MECHANICS; QUANTUM OPERATORS
Optional Information
- Notes
- (c) 2004 American Institute of Physics.