Analytical Excited-State Gradients and Derivative Couplings in TDDFT with Minimal Auxiliary Basis Set Approximation and GPU Acceleration

Fuente: arXiv

Saved in:

Bibliographic Details
Main Authors:	Pu, Zhichen, Wu, Xiaojie, Wang, Yuanheng, Fan, Cheng, Yan, Wen, Zhou, Zehao, Gao, Yi Qin, Sun, Qiming
Format:	Preprint
Published:	2025
Subjects:	Chemical Physics
Online Access:	Acceder al recurso
Tags:	Add Tag No Tags, Be the first to tag this record!

Internet

https://arxiv.org/abs/2511.18233