Dynamics calculations for the LiH+H⇆Li+H2 reactions using interpolations of accurate ab initio potential energy surfaces
Author:
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://aip.scitation.org/doi/pdf/10.1063/1.1596391
Reference15 articles.
1. A comparison of Car—Parrinello and Born—Oppenheimer generalized valence bond molecular dynamics
2. Ab initio molecular dynamics around a conical intersection: Li(2p) + H2
3. Molecular potential energy surfaces by interpolation
4. Automatic potential energy surface generation directly fromab initiocalculations using Shepard interpolation: A test calculation for the H2+H system
5. Automatic potential energy surface generation directly fromab initiocalculations using Shepard interpolation: A test calculation for the H2+H system
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