Title of article
Benchmark calculations for two-electron systems using explicitly correlated Gaussian functions
Author/Authors
Cencek، نويسنده , , Wojciech and Komasa، نويسنده , , Jacek and Rychlewski، نويسنده , , Jacek، نويسنده ,
Issue Information
روزنامه با شماره پیاپی سال 1995
Pages
4
From page
417
To page
420
Abstract
Explicitly correlated Gaussian functions and nonlinear optimization techniques have been used to calculate Born-Oppenheimer energies of the ground states of H3+ and HeH+ ions and several excited states of the hydrogen molecule at equilibrium nuclear configurations. In all the cases the results are more accurate than any previously reported.
Journal title
Chemical Physics Letters
Serial Year
1995
Journal title
Chemical Physics Letters
Record number
1775307
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