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electrons using all-electron explicitly correlated Gaussian basis functions

โœ Scribed by Sharkey, Keeper L.; Pavanello, Michele; Bubin, Sergiy; Adamowicz, Ludwik

Book ID
120361847
Publisher
The American Physical Society
Year
2009
Tongue
English
Weight
153 KB
Volume
80
Category
Article
ISSN
1050-2947

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๐Ÿ“œ SIMILAR VOLUMES

Benchmark calculations for two-electron
Benchmark calculations for two-electron systems using explicitly correlated Gaussian functions
โœ Wojciech Cencek; Jacek Komasa; Jacek Rychlewski ๐Ÿ“‚ Article ๐Ÿ“… 1995 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 301 KB

Explicitly correlated Gaussian functions and nonlinear optimization techniques have been used to calculate Born-Oppenheimer energies of the ground states of H~-and Hell รท ions and several excited states of the hydrogen molecule at equilibrium nuclear configurations. In all the cases the results are