A nonlinear programming approach to lower bounds for the ground-state energy of helium

Authors
Porras, I Feldmann, DM King, FW
Citation
I. Porras et al., A nonlinear programming approach to lower bounds for the ground-state energy of helium, INT J QUANT, 71(6), 1999, pp. 455-463
Citations number
30
Categorie Soggetti
Physical Chemistry/Chemical Physics
Journal title
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY
ISSN journal
00207608 → ACNP
Volume
71
Issue
6
Year of publication
1999
Pages
455 - 463
Database
ISI
SICI code
0020-7608(19990220)71:6<455:ANPATL>2.0.ZU;2-B
Abstract
Lower-bound estimates for the ground-state energy of the helium atom are de termined using nonlinear programming techniques. Optimized lower bounds are determined for single-particle, radially correlated, and general correlate d wave functions. The local nature of the method employed makes it a very s evere test of the accuracy of the wave function. (C) 1999 John Wiley & Sons , Inc.