Nuclear gradients from auxiliary-field quantum Monte Carlo and their application in geometry optimization and transition state search

Fuente: arXiv

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Dettagli Bibliografici
Autori principali:	Kurian, Jo S., Mahajan, Ankit, Sharma, Sandeep
Natura:	Preprint
Pubblicazione:	2026
Soggetti:	Chemical Physics Strongly Correlated Electrons
Accesso online:	Acceder al recurso
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