Published February 10, 2003 | Version v1
Journal article

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.