Using a pruned basis and a sparse collocation grid with more points than basis functions to do efficient and accurate MCTDH calculations with general potential energy surfaces.
| Autor: | Wodraszka, Robert1 (AUTHOR) Robert.Wodraszka@chem.queensu.ca, Carrington Jr., Tucker1 (AUTHOR) Tucker.Carrington@queensu.ca |
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| Zdroj: | Journal of Chemical Physics. 6/7/2024, Vol. 160 Issue 21, p1-19. 19p. |
| Databáze: | Academic Search Ultimate |
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