The compressed helium atom variationally treated via a correlated Hylleraas wave function
Description
We calculate ground state energy, critical cage and ionization radius for the confined helium atom centered in a spherical impenetrable box. Total and ionization energies, pressure on the confining boundary and the expectation value are obtained as a function of the box radii. Three nonlinear parameters and N (=1,5 and 10) linear coefficients are variationally optimized within wave functions expressed in a generalized Hylleraas basis set that explicitly incorporates the interelectronic distance r12, both, via a Slater type exponent and through polynomial terms entering the expansion. The wave function includes a cut-off factor to ensure correct fulfillment of the boundary condition (vanishing wave function at the box edge). With the 10-term basis set we obtain energy values very close (within millihartrees) to the nearly exact results of Joslin and Goldman [J. Phys. B 25 (1992) 1965] obtained by means of a Quantum Monte Carlo method which, computationally, is a great deal more demanding than our variational approach
Additional details
Identifiers
- DOI
- 10.1016/S0375-9601(02)01767-X;
- arXiv
- arXiv:math/0411079v3;
- PII
- S037596010201767X;
Publishing Information
- Journal Title
- Physics Letters. A
- Journal Volume
- 307
- Journal Issue
- 5-6
- Journal Page Range
- p. 326-336
- ISSN
- 0375-9601
- CODEN
- PYLAAG
INIS
- Country of Publication
- Netherlands
- Country of Input or Organization
- International Atomic Energy Agency (IAEA)
- INIS RN
- 36084276
- Subject category
- S71: CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS;
- Descriptors DEI
- ATOMS; EXPECTATION VALUE; GROUND STATES; HELIUM; IONIZATION; MONTE CARLO METHOD; NONLINEAR PROBLEMS; POLYNOMIALS; SPHERICAL CONFIGURATION; VARIATIONAL METHODS; WAVE FUNCTIONS
- Descriptors DEC
- CALCULATION METHODS; CONFIGURATION; ELEMENTS; ENERGY LEVELS; FLUIDS; FUNCTIONS; GASES; NONMETALS; RARE GASES
Optional Information
- Copyright
- Copyright (c) 2002 Elsevier Science B.V., Amsterdam, The Netherlands, All rights reserved.