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6 results in Keywords: resonant inelastic X-ray scattering

Theoretical and Computational Chemistry

A Simple Molecular Orbital Picture of RIXS Distilled from Many-Body Damped Response Theory

Kaushik Nanda, Anna I. Krylov

Version 1 posted 10 April 2020

338

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Inorganic Chemistry

Hidden Heterometallic Interaction Emerges from Resonant Inelastic X-ray Scattering in Luminescent Tb–Pt Molecules

Takefumi Yoshida, Ahmed Shabana, David Chukwuma Izuogu, Kentaro Fuku, Tetsu Sato, Haitao Zhang, Yukina Yamamoto, Jun Kamata, Hitomi Ohmagari, Miki Hasegawa, Goulven Cosquer, Shinya Takaishi, Takuma Kaneko, Tomoya Uruga, Yasuhiro Iwasawa, Masahiro Yamashita

Version 1 posted 01 March 2022

209

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Dynamics of Ce-O bond energy upon formation of O vacancies

Xuze Guan, Zhangyi Yao, Hao-xin Liu, Yonghui Liu, Rong Han, Lu Chen, Deniz Wong, Christian Schulz, Hiroyuki Asakura, Jie Zhang, Shusaku Hayama, Matthijs A. van Spronsen, Yifei Ren, Lun Zhang, Xinlian Su, Tsunehiro Tanaka, Yuzheng Guo, Chun-jiang Jia, Feng Ryan Wang

Version 1 posted 08 September 2023

463

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Theoretical and Computational Chemistry

Cherrypicking Resolvents: A General Strategy for Convergent Coupled-Cluster Damped Response Calculations of Core-Level Spectra

Kaushik Nanda, Anna Krylov

Version 1 posted 06 July 2020

263

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Full Energy Range Resonant Inelastic X-Ray Scattering of O2 and CO2: Direct Comparison with Oxygen Redox State in Batteries

Zengqing Zhuo, Yi-Sheng Liu, Jinghua Guo, Yi-de Chuang, Feng Pan, Wanli Yang

Version 1 posted 16 December 2019

513

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Physical Chemistry

Capturing Coupled Structural and Electronic Motions During Excited-State Intramolecular Proton Transfer via Computational Multi-edge Resonant Inelastic X-ray Scattering

Amke Nimmrich, Niranjan Govind, Munira Khalil

Version 1 posted 16 September 2024

152

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