Very-Large-Scale GPU-Accelerated Nuclear Gradient of Time-Dependent Density Functional Theory with Tamm-Dancoff Approximation and Range-Separated Hybrid Functionals

Fuente: arXiv

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Bibliographic Details
Main Authors:	Kim, Inkoo, Jeong, Daun, Weisburn, Leah, Alexiu, Alexandra, Van Voorhis, Troy, Rhee, Young Min, Son, Won-Joon, Kim, Hyung-Jin, Yim, Jinkyu, Kim, Sungmin, Cho, Yeonchoo, Jang, Inkook, Lee, Seungmin, Kim, Dae Sin
Format:	Preprint
Published:	2024
Subjects:	Chemical Physics
Online Access:	Acceder al recurso
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Internet

https://arxiv.org/abs/2407.16586