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Solving the Trivial Crossing Problem While Preserving the Nodal Symmetry of the Wave Function
[Image: see text] In an adiabatic mixed quantum-classical simulation, the avoided crossing of weakly coupled eigenstates can lead to unphysical discontinuities in wave function dynamics, otherwise known as the trivial crossing problem. A standard solution to the trivial crossing problem eliminates s...
| Autores principales: | , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American
Chemical Society
2019
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6750758/ https://www.ncbi.nlm.nih.gov/pubmed/31305997 http://dx.doi.org/10.1021/acs.jctc.9b00302 |