ISSN:
0020-7608
Schlagwort(e):
Computational Chemistry and Molecular Modeling
;
Atomic, Molecular and Optical Physics
Quelle:
Wiley InterScience Backfile Collection 1832-2000
Thema:
Chemie und Pharmazie
Notizen:
We apply the HH-GLF method, a new simple hyperspherical harmonic method proposed recently by one of us, to directly solve the three-body Schrödinger equation for e+e-e+. Uniformally convergent energy eigenvalues are obtained with only several GLF and the obtained ground-state energy with 200 HH and 6 GLF is -0.26124 au, which is very near the exact value of -0.26200 au. Energy results for maximum global momentum Km ≤ 20 are compared with those from some other hyperspherical techniques carefully, and we find that, in the example of e+e-e+, the HH-GLF method can yield results as accurate as the best available other HH method, but is conceptually simpler and more convenient for practical calculations with a large number of hyperspherical harmonics. © 1994 John Wiley & Sons, Inc.
Zusätzliches Material:
3 Tab.
Materialart:
Digitale Medien
URL:
http://dx.doi.org/10.1002/qua.560500603
