Leveraging the Bias‐Variance Tradeoff in Quantum Chemistry for Accurate Negative Singlet‐Triplet Gap Predictions: A Case for Double‐Hybrid DFT

Fuente: Wiley Open Access
Saved in:
Bibliographic Details
Main Authors: Atreyee Majumdar, Raghunathan Ramakrishnan
Format: Artículo Open Access
Published: Wiley 2025
Subjects:
Online Access:
Tags: Add Tag
No Tags, Be the first to tag this record!