ISSN:
0020-7608
Keywords:
Computational Chemistry and Molecular Modeling
;
Atomic, Molecular and Optical Physics
Source:
Wiley InterScience Backfile Collection 1832-2000
Topics:
Chemistry and Pharmacology
Notes:
To accelerate the convergence of the HH expansion, we modified the HH-GLF method, a new simple hyperspherical harmonic method proposed recently by us, into the CFHH-GLF method. Applications of the CFHH-GLF method to the three-body systems He and e- e- e+ exhibit very fast convergence with number of HH basis sets. With only 36 HH and five GLF, we obtain the ground-state energy of -2.90371 au for He, compared with the exact value of -2.90372 au, and with only 36 HH and 10 GLF, we obtained the ground-state energy of -0.26188 au for e- e- e+, compared with the exact value of -0.26200 au. We formulate the CFHH-GLF method in this article. © 1994 John Wiley & Sons, Inc.
Additional Material:
1 Tab.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1002/qua.560510504
