Category:
Theoretical and Computational Chemistry
,
Working Paper
, Title:
Assessment of Electron-Proton Correlation Functionals for Vibrational Spectra of Shared-Proton Systems by Constrained Nuclear-Electronic Orbital Density Functional Theory
, Authors:
Yuzhuo Yang, Yuzhe Zhang, Yang Yang, Xi Xu
Version 1 posted 14 October 2024
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