Title of article
Variational calculations of structures and energetics in very floppy trimers: A new computational implementation Original Research Article
Author/Authors
S. Orlandini، نويسنده , , I. Baccarelli، نويسنده , , F.A. Gianturco، نويسنده ,
Issue Information
ماهنامه با شماره پیاپی سال 2009
Pages
8
From page
384
To page
391
Abstract
Fully variational calculations which employ the Distributed Gaussian Functions (DGF) approach, and an overall potential within each trimer given as a sum of two-body potentials, have been implemented with a new computational scheme and used to verify the features of bound states in very weakly interacting systems. As test cases, the “half-neon” and the weakly bound bosonic He3, have been analyzed. The present, very extended expansions are discussed in detail and our findings are found to compare favorably with the existing results on these systems.
Keywords
Computational chemistry , van der Waals systems , Bound state calculations , Variational expansion methods
Journal title
Computer Physics Communications
Serial Year
2009
Journal title
Computer Physics Communications
Record number
1137602
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