Hyperspherical approach to three-electron atomic systems

Journal Article · Sat Jun 01 04:00:00 EDT 1996 · Physical Review A

DOI:https://doi.org/10.1103/PhysRevA.53.3934· OSTI ID:284318

Yang, X; Bao, C G; Lin, C D ^[1]

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1. Department of Physics, Kansas State University, Manhattan, Kansas 66506-2601 (United States)

The hyperspherical coordinates approach to three-electron atomic systems is further refined by taking into account the symmetry of the electrons analytically. Spins are treated explicitly for both doublet and quartet cases to reduce the three-electron Schr{umlt o}dinger equation to a set of coupled two-dimensional partial differential equations in a compact, symmetric form ready for numerical calculations. It is shown that the resulting equations can be accurately solved using {ital B} splines. By adopting the adiabatic approximation, the hyperspherical potential curves for singly, doubly, and triply excited states for the {sup 2}{ital P}{sup {ital o}} symmetry of Li are obtained. {copyright} {ital 1996 The American Physical Society.}

• OSTI ID: 284318
• Journal Information: Physical Review A, Journal Name: Physical Review A Journal Issue: 6 Vol. 53; ISSN 1050-2947; ISSN PLRAAN
• Country of Publication: United States
• Language: English

Related Subjects

66 PHYSICS
ELECTRONIC STRUCTURE
EXCITED STATES
LITHIUM
P STATES
SCHROEDINGER EQUATION
SPIN