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Journal Articles

A recursive cell multipole method for atomistic electrodynamics models

Mark J. Bronson, Jr., Lasse Jensen

J. Chem. Phys. 160, 024121 (2024)

https://doi.org/10.1063/5.0181130

Published: January 2024

View article titled, A recursive cell multipole method for atomistic electrodynamics models

Includes: Supplementary data

Journal Articles

Modeling the near-field effect on molecular excited states using the discrete interaction model/quantum mechanical method

Hepeng Ye, Jeffrey C. Becca, Lasse Jensen

J. Chem. Phys. 160, 014707 (2024)

https://doi.org/10.1063/5.0164711

Published: January 2024

View article titled, Modeling the near-field effect on molecular excited states using the discrete interaction model/quantum mechanical method

Includes: Supplementary data

Journal Articles

Polyatomic radiative association by quasiclassical trajectory calculations: Formation of HCN and HNC molecules in H + CN collisions

Péter Szabó, Magnus Gustafsson

J. Chem. Phys. 159, 144112 (2023)

https://doi.org/10.1063/5.0170577

Published: October 2023

View article titled, Polyatomic radiative association by quasiclassical trajectory calculations: Formation of HCN and HNC molecules in H + CN collisions

Includes: Supplementary data

Journal Articles

Waveguided energy transfer in pseudo-two-dimensional systems

Hrishikesh Somayaji, Gregory D. Scholes

J. Chem. Phys. 158, 224107 (2023)

https://doi.org/10.1063/5.0145540

Published: June 2023

View article titled, Waveguided energy transfer in pseudo-two-dimensional systems

Journal Articles

Kinetics of isotropic to string-like phase switching in electrorheological fluids of nanocubes

L. Tonti, F. A. García Daza, A. Patti

J. Chem. Phys. 157, 224906 (2022)

https://doi.org/10.1063/5.0120631

Published: December 2022

View article titled, Kinetics of isotropic to string-like phase switching in electrorheological fluids of nanocubes

Includes: Supplementary data

Journal Articles

Adiabatic electronic flux in molecules and in condensed matter

Raffaele Resta

J. Chem. Phys. 156, 204118 (2022)

https://doi.org/10.1063/5.0087883

Published: May 2022

View article titled, Adiabatic electronic flux in molecules and in condensed matter

Journal Articles

Modeling and measuring plasmonic excitations in hollow spherical gold nanoparticles

Marvin M. Müller, Nanda Perdana, Carsten Rockstuhl, Christof Holzer

J. Chem. Phys. 156, 094103 (2022)

https://doi.org/10.1063/5.0078230

Published: March 2022

View article titled, Modeling and measuring plasmonic excitations in hollow spherical gold nanoparticles

Includes: Supplementary data

Journal Articles

Faraday law, oxidation numbers, and ionic conductivity: The role of topology

Raffaele Resta

J. Chem. Phys. 155, 244503 (2021)

https://doi.org/10.1063/5.0077718

Published: December 2021

View article titled, Faraday law, oxidation numbers, and ionic conductivity: The role of topology

Journal Articles

Hydrodynamic effects on the energy transfer from dipoles to metal slab

Daniel Brown, Hai-Yao Deng

J. Chem. Phys. 155, 114109 (2021)

https://doi.org/10.1063/5.0062708

Published: September 2021

View article titled, Hydrodynamic effects on the energy transfer from dipoles to metal slab

Journal Articles

Unified treatment of scattering, absorption, and luminescence spectra from a plasmon–exciton hybrid by temporal coupled-mode theory

Huatian Hu, Zhifeng Shi, Shunping Zhang, Hongxing Xu

J. Chem. Phys. 155, 074104 (2021)

https://doi.org/10.1063/5.0059816

Published: August 2021

View article titled, Unified treatment of scattering, absorption, and luminescence spectra from a plasmon–exciton hybrid by temporal coupled-mode theory

Includes: Supplementary data

Journal Articles

A discrete interaction model/quantum mechanical method for simulating surface-enhanced Raman spectroscopy in solution

Jeffrey C. Becca, Xing Chen, Lasse Jensen

J. Chem. Phys. 154, 224705 (2021)

https://doi.org/10.1063/5.0051256

Published: June 2021

View article titled, A discrete interaction model/quantum mechanical method for simulating surface-enhanced Raman spectroscopy in solution

Journal Articles

Surface-enhanced hyper-Raman scattering of Rhodamine 6G isotopologues: Assignment of lower vibrational frequencies

Jacob E. Olson, Zhongwei Hu, Michael D. Best, Lasse Jensen, Jon P. Camden

J. Chem. Phys. 154, 034703 (2021)

https://doi.org/10.1063/5.0031679

Published: January 2021

View article titled, Surface-enhanced hyper-Raman scattering of Rhodamine 6G isotopologues: Assignment of lower vibrational frequencies

Includes: Supplementary data

Journal Articles

Quantifying the enhancement mechanisms of surface-enhanced Raman scattering using a Raman bond model

Ran Chen, Lasse Jensen

J. Chem. Phys. 153, 224704 (2020)

https://doi.org/10.1063/5.0031221

Published: December 2020

View article titled, Quantifying the enhancement mechanisms of surface-enhanced Raman scattering using a Raman bond model

Includes: Supplementary data

Journal Articles

Combined computational quantum chemistry and classical electrodynamics approach for surface enhanced infrared absorption spectroscopy

Masato Takenaka, Tetsuya Taketsugu, Takeshi Iwasa

J. Chem. Phys. 152, 164103 (2020)

https://doi.org/10.1063/1.5143855

Published: April 2020

View article titled, Combined computational quantum chemistry and classical electrodynamics approach for surface enhanced infrared absorption spectroscopy

Includes: Supplementary data

Journal Articles

Dynamic structure factor of a lipid bilayer in the presence of a high electric field

V. E. Zakhvataev

J. Chem. Phys. 151, 234902 (2019)

https://doi.org/10.1063/1.5123786

Published: December 2019

View article titled, Dynamic structure factor of a lipid bilayer in the presence of a high electric field

Journal Articles

Galvanic replacement induced electromotive force to propel Janus micromotors

Julio Bastos-Arrieta, Christoph Bauer, Alexander Eychmüller, Juliane Simmchen

J. Chem. Phys. 150, 144902 (2019)

https://doi.org/10.1063/1.5085838

Published: April 2019

View article titled, Galvanic replacement induced electromotive force to propel Janus micromotors

Includes: Supplementary data

Journal Articles

Dielectric virial expansion of polarizable dipolar spheres

Huada Lian, Jian Qin, Karl F. Freed

J. Chem. Phys. 149, 163332 (2018)

https://doi.org/10.1063/1.5035551

Published: August 2018

View article titled, Dielectric virial expansion of polarizable dipolar spheres

Journal Articles

Interfacial ion solvation: Obtaining the thermodynamic limit from molecular simulations

Stephen J. Cox, Phillip L. Geissler

J. Chem. Phys. 148, 222823 (2018)

https://doi.org/10.1063/1.5020563

Published: April 2018

View article titled, Interfacial ion solvation: Obtaining the thermodynamic limit from molecular simulations

Journal Articles

A classical density functional theory for the asymmetric restricted primitive model of ionic liquids

Hongduo Lu, Sture Nordholm, Clifford E. Woodward, Jan Forsman

J. Chem. Phys. 148, 193814 (2018)

https://doi.org/10.1063/1.5013134

Published: February 2018

View article titled, A classical density functional theory for the asymmetric restricted primitive model of ionic liquids

Includes: Supplementary data

Journal Articles

Complex band structure and electronic transmission eigenchannels

Anders Jensen, Mikkel Strange, Søren Smidstrup, Kurt Stokbro, Gemma C. Solomon, Matthew G. Reuter

J. Chem. Phys. 147, 224104 (2017)

https://doi.org/10.1063/1.5016179

Published: December 2017

View article titled, Complex band structure and electronic transmission eigenchannels

Includes: Supplementary data

NARROW

Topics

A recursive cell multipole method for atomistic electrodynamics models

Modeling the near-field effect on molecular excited states using the discrete interaction model/quantum mechanical method

Polyatomic radiative association by quasiclassical trajectory calculations: Formation of HCN and HNC molecules in H + CN collisions

Waveguided energy transfer in pseudo-two-dimensional systems

Kinetics of isotropic to string-like phase switching in electrorheological fluids of nanocubes

Adiabatic electronic flux in molecules and in condensed matter

Modeling and measuring plasmonic excitations in hollow spherical gold nanoparticles

Faraday law, oxidation numbers, and ionic conductivity: The role of topology

Hydrodynamic effects on the energy transfer from dipoles to metal slab

Unified treatment of scattering, absorption, and luminescence spectra from a plasmon–exciton hybrid by temporal coupled-mode theory

A discrete interaction model/quantum mechanical method for simulating surface-enhanced Raman spectroscopy in solution

Surface-enhanced hyper-Raman scattering of Rhodamine 6G isotopologues: Assignment of lower vibrational frequencies

Quantifying the enhancement mechanisms of surface-enhanced Raman scattering using a Raman bond model

Combined computational quantum chemistry and classical electrodynamics approach for surface enhanced infrared absorption spectroscopy

Dynamic structure factor of a lipid bilayer in the presence of a high electric field

Galvanic replacement induced electromotive force to propel Janus micromotors

Dielectric virial expansion of polarizable dipolar spheres

Interfacial ion solvation: Obtaining the thermodynamic limit from molecular simulations

A classical density functional theory for the asymmetric restricted primitive model of ionic liquids

Complex band structure and electronic transmission eigenchannels

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