Supplement 1

https://doi.org/10.60893/figshare.jcp.28431980

dataset

posted on 2025-03-11, 12:05 authored by Nhan Tran, Lan Tran

Raw data of Total energies and Excitation energies

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1.
DOI - Is supplement to Attaining high accuracy for charge-transfer excitations in non-covalent complexes at second-order perturbation cost: the importance of state-specific self-consistency

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Physical sciences

Keywords

Charge-transfer excitation State-specific optimization Self-consistent perturbation theory

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