Accuracy of three-body wave functions obtained with the correlation-function hyperspherical-harmonic method

Journal Article · Sat Dec 01 04:00:00 EST 1990 · Physical Review, A; (USA)

DOI:https://doi.org/10.1103/PhysRevA.42.6324· OSTI ID:6145421

Haftel, M I ^[1]; Mandelzweig, V B ^[2]

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1. Code 4651, Naval Research Laboratory, Washington, D.C. (USA)
2. Code 4651, Naval Research Laboratory, Washington, D.C. (USA) Department of Physics and Astronomy, University of Maryland, College Park, MD (USA)

The local convergence and accuracy of wave functions obtained by direct solution of the Schroedinger equation with the help of the correlation-function hyperspherical-harmonic method are analyzed for ground and excited states of the helium atom and for the ground state of the positronium negative ion. The inclusion of the cusp conditions into the correlation function is shown to be of crucial importance, not only near the coalescence points, but also away from them. The proper inclusion of all cusps yields for the ground state of the helium atom the local wave-function accuracy of about 10{sup {minus}7} for different interparticle distances. The omission of one of the cusps in the excited helium atom reduces the wave-function precision to 10{sup {minus}2} near the corresponding coalescence point and to 10{sup {minus}4}--10{sup {minus}5} away from it.

• OSTI ID: 6145421
• Journal Information: Physical Review, A; (USA), Journal Name: Physical Review, A; (USA) Vol. 42:11; ISSN 1050-2947; ISSN PLRAA
• Country of Publication: United States
• Language: English

Related Subjects

640302* -- Atomic
Molecular & Chemical Physics-- Atomic & Molecular Properties & Theory
640303 -- Atomic
Molecular & Chemical Physics-- Positronium
Muonium
& Muonic & Mesic Atoms & Molecules
74 ATOMIC AND MOLECULAR PHYSICS
ATOMS
DIFFERENTIAL EQUATIONS
ELECTRONIC STRUCTURE
ELEMENTS
ENERGY LEVELS
EQUATIONS
EXCITED STATES
FLUIDS
FUNCTIONS
GASES
GROUND STATES
HELIUM
MANY-BODY PROBLEM
NONMETALS
PARTIAL DIFFERENTIAL EQUATIONS
POSITRONIUM
RARE GASES
SCHROEDINGER EQUATION
THREE-BODY PROBLEM
WAVE EQUATIONS
WAVE FUNCTIONS