A simple algorithm for conservation of invariants of motion in reaction dynamics calculations: Application to the NH3++NH3 system
Author:
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://aip.scitation.org/doi/pdf/10.1063/1.477968
Reference34 articles.
1. Construction of higher order symplectic integrators
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4. Symplectic integrators and the conservation of angular momentum
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1. First-principle molecular-dynamics study of hydrogen adsorption on an aluminum-doped carbon nanotube;Journal of Power Sources;2006-12
2. Electronic energy density in chemical reaction systems;The Journal of Chemical Physics;2001-08-22
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