COMPASS: Double-ended saddle point search as a constrained optimization problem.
| Autor: | Sommer-Jörgensen, Martin1 (AUTHOR) martin.sommer@unibas.ch, Goedecker, Stefan1 (AUTHOR) |
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| Zdroj: | Journal of Chemical Physics. 2/14/2024, Vol. 160 Issue 6, p1-12. 12p. |
| Databáze: | Academic Search Ultimate |
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