DIRECT SOLUTION OF THE MANY-BODY SCHRODINGER-EQUATION IN THE HYPERSPHERICAL FORMALISM - FORMULATION OF THE CFHH GLF METHOD

Authors
Citation
Ws. Bian et Ch. Deng, DIRECT SOLUTION OF THE MANY-BODY SCHRODINGER-EQUATION IN THE HYPERSPHERICAL FORMALISM - FORMULATION OF THE CFHH GLF METHOD, International journal of quantum chemistry, 51(5), 1994, pp. 285-291
Citations number
18
Categorie Soggetti
Chemistry Physical
ISSN journal
00207608
Volume
51
Issue
5
Year of publication
1994
Pages
285 - 291
Database
ISI
SICI code
0020-7608(1994)51:5<285:DSOTMS>2.0.ZU;2-K
Abstract
To accelerate the convergence of the HH expansion, we modified the HH- GLF method, a new simple hyperspherical harmonic method proposed recen tly by us, into the CFHH-GLF method. Applications of the CFHH-GLF meth od to the three-body systems He and e-e-e+ exhibit very fast convergen ce with number of HH basis sets. With only 36 HH and five GLF, we obta in the ground-state energy of -2.90371 au for He, compared with the ex act 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 e xact value of -0.26200 au. We formulate the CFHH-GLF method in this ar ticle. (C) 1994 John Wiley & Sons, Inc.