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Physical Chemistry

Working Paper

Bethe-Salpeter Study of the Optical Absorption of trans and cis Azobenzene-Functionalized Metal-Organic Frameworks using Molecular and Periodic Models

Aseem Rajan Kshirsagar, Claudio Attaccalite, Xavier Blase, Jing Li, Roberta Poloni

Version 1 posted 24 February 2021

286

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Physical Chemistry

Working Paper

Strongly Bound Excitons in Metal-Organic Framework MOF-5: A Many-Body Perturbation Theory Study

Aseem Rajan Kshirsagar, Xavier Blase, Claudio Attaccalite, Roberta Poloni

Version 1 posted 16 February 2021

548

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Materials Chemistry

Working Paper

Frenkel Excitons in Vacancy-ordered Titanium Halide Perovskites (Cs₂TiX₆)

Seán R. Kavanagh, Christopher N. Savory, Shanti M. Liga, Gerasimos Konstantatos, Aron Walsh, David O. Scanlon

Version 3 posted 03 November 2022

882

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Physical Chemistry

Working Paper

The Effect of Particle Size and Composition on the Optical and Electronic Properties of CdO and CdS Rocksalt Nanoparticles

Martijn Zwijnenburg

Version 1 posted 17 March 2022

96

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Theoretical and Computational Chemistry

Working Paper

Practical post-Kohn-Sham methods for time-reversal symmetry breaking references

Christof Holzer

Version 1 posted 08 February 2023

248

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Materials Chemistry

Working Paper

Mixed-Cation Vacancy-Ordered Perovskites (Cs₂Ti₁₋ₓSnₓX₆; X = I, Br): High Miscibility, Additivity and Tunable Stability

Shanti Liga, Seán R. Kavanagh, Aron Walsh, David O. Scanlon, Gerasimos Konstantatos

Version 2 posted 22 September 2023

485

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Catalysis

Working Paper

Correlating Optical and Structural Properties of CO on Transition Metal Surfaces

Mai-Anh Ha, Dimitar Pashov, Mark van Schilfgaarde

Version 1 posted 01 July 2024

57

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Nanoscience

Working Paper

The Effect of Particle Size on the Optical and Electronic Properties of Hydrogenated Silicon Nanoparticles

Eimear Madden, Martinus Antonius Zwijnenburg

Version 2 posted 19 December 2023

123

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8 results in GW in Keywords: GW

Bethe-Salpeter Study of the Optical Absorption of trans and cis Azobenzene-Functionalized Metal-Organic Frameworks using Molecular and Periodic Models

Strongly Bound Excitons in Metal-Organic Framework MOF-5: A Many-Body Perturbation Theory Study

Frenkel Excitons in Vacancy-ordered Titanium Halide Perovskites (Cs₂TiX₆)

The Effect of Particle Size and Composition on the Optical and Electronic Properties of CdO and CdS Rocksalt Nanoparticles

Practical post-Kohn-Sham methods for time-reversal symmetry breaking references

Mixed-Cation Vacancy-Ordered Perovskites (Cs₂Ti₁₋ₓSnₓX₆; X = I, Br): High Miscibility, Additivity and Tunable Stability

Correlating Optical and Structural Properties of CO on Transition Metal Surfaces

The Effect of Particle Size on the Optical and Electronic Properties of Hydrogenated Silicon Nanoparticles

8 results in Keywords: GW