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Name: Supporting Information
Published: 2025-03-03T05:08:26+00:00
License: https://creativecommons.org/licenses/by/4.0/
Keywords: particle-particle random phase approximation, double excitation, point defect

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posted on 2025-03-03, 05:08 authored by Jincheng Yu, Jiachen Li, Tianyu Zhu, Weitao Yang

excitation energies of point defect systems and double excitation energies of molecular systems using aug-cc-pVQZ basis set obtained from ppRPA, NTOs of ppRPA based on different functionals.

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particle-particle random phase approximation double excitation point defect

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CC BY 4.0

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