"Examining the Impact of Local Constraint Violations on Energy Computations ..."

Vaibhav Khanna et al. (2025)

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DOI: 10.1002/JCC.70005

access: closed

type: Journal Article

metadata version: 2025-03-03

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Vaibhav Khanna, Bikash Kanungo, Vikram Gavini, Ambuj Tewari, Paul M. Zimmerman:
Examining the Impact of Local Constraint Violations on Energy Computations in DFT. J. Comput. Chem. 46(1) (2025)

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