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Theoretical and Computational Chemistry

Working Paper

Excitonic Coupled-cluster Theory: Part II, Electronic Hamiltonian

Anthony Dutoi, Yuhong Liu

Version 2 posted 28 August 2017

1,163

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Theoretical and Computational Chemistry

Working Paper

TheoDORE: a Toolbox for a Detailed and Automated Analysis of Electronic Excited State Computations

Felix Plasser

Version 1 posted 23 December 2019

858

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Physical Chemistry

Working Paper

Absorption and Circular Dichroism Spectra of Molecular Aggregates with the Full Cumulant Expansion.

Lorenzo Cupellini, Filippo Lipparini, Jianshu Cao

Version 1 posted 08 June 2020

398

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Materials Science

Working Paper

Epitaxial Dimers and Auger-Assisted De-Trapping in PbS Quantum Dot Solids

Rachel H. Gilmore, Yun Liu, Wenbi Shcherbakov-Wu, Nabeel Dahod, Elizabeth Lee, Mark Weidman, Huashan Li, Joel Jean, Vladimir Bulovic, Adam Willard, Jeffrey C. Grossman, William Tisdale

Version 1 posted 20 March 2019

1,097

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Physical Chemistry

Working Paper

Design Principles for 2-Dimensional Molecular Aggregates using Kasha’s Model: Tunable Photophysics in Near and Shortwave Infrared

Arundhati Deshmukh, Danielle Koppel, Chern Chuang, Danielle Cadena, Jianshu Cao, Justin Caram

Version 4 posted 20 May 2019

1,815

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Materials Science

Working Paper

Assessing the Role of Inter-Molecular Interactions in a Perylene-Based Nanowire Using First-Principles Many-Body Perturbation Theory

Tianlun Huang, D. Kirk Lewis, Sahar Sharifzadeh

Version 1 posted 05 April 2019

447

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Materials Chemistry

Review

Connecting the Dots for Fundamental Understanding of Structure-Photophysics-Property Relationships of COFs, MOFs, and Perovskites using a Multiparticle Holstein Formalism

Raja Ghosh, Francesco Paesani

Version 2 posted 10 November 2022

551

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Catalysis

Working Paper

Photocatalytic Activity of Phosphorene Derivatives: Coverage, Electronic, Optical and Excitonic properties

Srilatha Arra, K. R. Ramya, Rohit Babar, Mukul Kabir

Version 1 posted 18 December 2017

745

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Polymer Science

Working Paper

Ultrafast Exciton Dynamics in Two Dimensional Covalent Organic Frameworks Reveals Size Dependence to Exciton Diffusion

Nathan C. Flanders, Matthew S. Kirschner, Pyosang Kim, Thomas Fauvell, Austin Evans, Waleed Helweh, Austin P. Spencer, Richard D. Schaller, William Dichtel, Lin X. Chen

Version 1 posted 03 April 2020

910

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Theoretical and Computational Chemistry

Working Paper

Effect of conformational disorder on exciton states of an azobenzene aggregate

Evgenii Titov

Version 1 posted 06 June 2022

240

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Refine Search

24 results in Excitons in Keywords: Excitons

Excitonic Coupled-cluster Theory: Part II, Electronic Hamiltonian

TheoDORE: a Toolbox for a Detailed and Automated Analysis of Electronic Excited State Computations

Absorption and Circular Dichroism Spectra of Molecular Aggregates with the Full Cumulant Expansion.

Epitaxial Dimers and Auger-Assisted De-Trapping in PbS Quantum Dot Solids

Design Principles for 2-Dimensional Molecular Aggregates using Kasha’s Model: Tunable Photophysics in Near and Shortwave Infrared

Assessing the Role of Inter-Molecular Interactions in a Perylene-Based Nanowire Using First-Principles Many-Body Perturbation Theory

Connecting the Dots for Fundamental Understanding of Structure-Photophysics-Property Relationships of COFs, MOFs, and Perovskites using a Multiparticle Holstein Formalism

Photocatalytic Activity of Phosphorene Derivatives: Coverage, Electronic, Optical and Excitonic properties

Ultrafast Exciton Dynamics in Two Dimensional Covalent Organic Frameworks Reveals Size Dependence to Exciton Diffusion

Effect of conformational disorder on exciton states of an azobenzene aggregate

24 results in Keywords: Excitons