A novel implementation of CCSD analytic gradients using Cholesky decomposition of the two-electron integrals and Abelian point-group symmetry

Fuente: arXiv

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Bibliographic Details
Main Authors:	Melega, Luca, Nottoli, Tommaso, Gauss, Jürgen, Lipparini, Filippo
Format:	Preprint
Published:	2025
Subjects:	Chemical Physics
Online Access:	Acceder al recurso
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Internet

https://arxiv.org/abs/2512.21909