Quantum Chemistry and Non-Equilibrium Thermodynamics: Does Chaos Play a Role in Quantum Chemical Calculations?
| Autor: | J.-M. André, M.-Cl. André, J. G. Fripiat, C. Lambert, Theodore E. Simos, George Maroulis |
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| Rok vydání: | 2007 |
| Předmět: |
Physics
Quantum chemical Chaotic Non-equilibrium thermodynamics Thermodynamics Quantum chemistry Nonlinear Sciences::Chaotic Dynamics Polyacetylene chemistry.chemical_compound Classical mechanics chemistry Ab initio quantum chemistry methods Nonlinear Sciences::Pattern Formation and Solitons Bifurcation |
| Zdroj: | AIP Conference Proceedings. |
| ISSN: | 0094-243X |
| DOI: | 10.1063/1.2836024 |
| Popis: | The theory of solitons in polyacetylene chains is reviewed with the emphasis on the force that drives the phenomenon. Then, the origin of bifurcation schemes in non‐equilibrium thermodynamics is summarized. Examples of bifurcations schemes and of chaotic behaviors in quantum chemical calculations are given. |
| Databáze: | OpenAIRE |
| Externí odkaz: |
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