Two electron wave function in hyperspherical coordinates

Thesis/Dissertation · Tue Jan 01 04:00:00 EST 1985

OSTI ID:7167404

Hornos, J E.M.

In order to investigate the precision with which quantitative calculations using hyperspherical coordinates are possible, the author reexamined this method in detail. By developing an analytical solution of the angular equation in the form of a series expansion in the variable x = tan(..cap alpha../2), he was able to isolate the numerical errors in the solution from those caused by the effects of the truncation of the angular momentum expansion and the inclusion of nonadiabatic coupling terms, which are then examined separately. This new method also permits reliable numerical calculation of the potential curves and channel functions in the asymptotic large-R region. Results are presented for the asymptotic forms of the potential curves, the channel functions, and the adiabatic couplings. From these, are determined general expressions for the boundary conditions for solution of the radial equations. Finally, the first nonadiabatic result for the ground-state energy of helium is presented.

• Research Organization: Yale Univ., New Haven, CT (USA)
• OSTI ID: 7167404
• Country of Publication: United States
• Language: English

Related Subjects

640302 -- Atomic
Molecular & Chemical Physics-- Atomic & Molecular Properties & Theory
640302* -- Atomic
Molecular & Chemical Physics-- Atomic & Molecular Properties & Theory
74 ATOMIC AND MOLECULAR PHYSICS
ANALYTICAL SOLUTION
ATOMIC MODELS
BOUNDARY CONDITIONS
COORDINATES
ELEMENTS
ENERGY LEVELS
FLUIDS
FUNCTIONS
GASES
GROUND STATES
HELIUM
MATHEMATICAL MODELS
NONMETALS
RARE GASES
SERIES EXPANSION
WAVE FUNCTIONS