Search

Theoretical and Computational Chemistry

Working Paper

Excitonic Coupled-cluster Theory: Part I, General Formalism

Yuhong Liu, Anthony Dutoi

Version 2 posted 28 August 2017

1,155

Downloads

1

Citations

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

Downloads

Theoretical and Computational Chemistry

Working Paper

First-principles simulation of excitation energy transfer and transient absorption spectroscopy in the CP29 light-harvesting complex

Piermarco Saraceno, Vladislav Sláma, Lorenzo Cupellini

Version 2 posted 29 September 2023

376

Downloads

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

Downloads

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

Downloads

Physical Chemistry

Working Paper

Infrared Hide-and-Seek: Vibrational Excitons Conceal Surfactants at the Air/Water Interface

Kimberly A. Carter-Fenk, Kevin Carter-Fenk, Michelle E Fiamingo, Heather Allen, John M. Herbert

Version 2 posted 01 March 2021

704

Downloads

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

Downloads

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

921

Downloads

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

Downloads

Theoretical and Computational Chemistry

Working Paper

Detection and correction of delocalization errors for electron- and hole-polarons using density-corrected DFT

Bhaskar Rana, Marc Coons, John Herbert

Version 1 posted 22 April 2022

507

Downloads

Refine Search

24 results in excitons in Keywords: excitons

Excitonic Coupled-cluster Theory: Part I, General Formalism

Effect of conformational disorder on exciton states of an azobenzene aggregate

First-principles simulation of excitation energy transfer and transient absorption spectroscopy in the CP29 light-harvesting complex

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

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

Infrared Hide-and-Seek: Vibrational Excitons Conceal Surfactants at the Air/Water Interface

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

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

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

Detection and correction of delocalization errors for electron- and hole-polarons using density-corrected DFT

24 results in Keywords: excitons