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Title: Fully exponentially correlated wavefunctions for small atoms

Fully exponentially correlated atomic wavefunctions are constructed from exponentials in all the interparticle coordinates, in contrast to correlated wavefunctions of the Hylleraas form, in which only the electron-nuclear distances occur exponentially, with electron-electron distances entering only as integer powers. The full exponential correlation causes many-configuration wavefunctions to converge with expansion length more rapidly than either orbital formulations or correlated wavefunctions of the Hylleraas type. The present contribution surveys the effectiveness of fully exponentially correlated functions for the three-body system (the He isoelectronic series) and reports their application to a four-body system (the Li atom)
Authors:
 [1]
  1. Department of Physics, University of Utah, Salt Lake City, UT 84112 and Quantum Theory Project, University of Florida, P.O. Box 118435, Gainesville, FL 32611 (United States)
Publication Date:
OSTI Identifier:
22390887
Resource Type:
Journal Article
Resource Relation:
Journal Name: AIP Conference Proceedings; Journal Volume: 1642; Journal Issue: 1; Conference: ICCMSE-2010: International Conference of Computational Methods in Sciences and Engineering 2010, Kos (Greece), 3-8 Oct 2010; Other Information: (c) 2015 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA)
Country of Publication:
United States
Language:
English
Subject:
71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS; ATOMS; CONFIGURATION; CORRELATION FUNCTIONS; CORRELATIONS; ELECTRONS; FOUR-BODY PROBLEM; HYLLERAAS COORDINATES; LITHIUM; THREE-BODY PROBLEM; WAVE FUNCTIONS