MC-PDFT Nuclear Gradients and L-PDFT Energies with Meta and Hybrid Meta On-Top Functionals for Ground- and Excited-State Geometry Optimization and Vertical Excitation Energies

Fuente: arXiv

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Bibliographic Details
Main Authors:	Hennefarth, Matthew R., Kim, Younghwan, Jangid, Bhavnesh, Wardzala, Jacob, Hermes, Matthew R., Truhlar, Donald G., Gagliardi, Laura
Format:	Preprint
Published:	2025
Subjects:	Chemical Physics Quantum Physics
Online Access:	Acceder al recurso
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Internet

https://arxiv.org/abs/2506.03304