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Journal Articles

A unique approach to address avoided crossings in the charge stabilization curve for LUMO identification

Deepak Kumar, Ashish Kumar Gupta

J. Chem. Phys. 161, 094108 (2024)

https://doi.org/10.1063/5.0225287

Published: September 2024

View article titled, A unique approach to address avoided crossings in the charge stabilization curve for LUMO identification

Journal Articles

Plasmon-mediated dynamics and lasing of nanoemitters enhanced by dispersing nanorings

Gennadiy Burlak, Gustavo Medina-Ángel, Yessica Calderón-Segura

J. Chem. Phys. 161, 034110 (2024)

https://doi.org/10.1063/5.0209350

Published: July 2024

View article titled, Plasmon-mediated dynamics and lasing of nanoemitters enhanced by dispersing nanorings

Journal Articles

Voltage-induced modulation of interfacial ionic liquids measured using surface plasmon resonant grating nanostructures

Indu Aravind, Yu Wang, Zhi Cai, Ruoxi Li, Rifat Shahriar, George N. Gibson, Ernest Guignon, Nathaniel C. Cady, William D. Page, Arturo Pilar, Stephen B. Cronin

J. Chem. Phys. 161, 034702 (2024)

https://doi.org/10.1063/5.0202642

Published: July 2024

View article titled, Voltage-induced modulation of interfacial ionic liquids measured using surface plasmon resonant grating nanostructures

Journal Articles

Cysteine-induced growth of jagged gold bipyramids from penta-twinned nanorod seeds

Jianwei Hu, Lingzhi Li, Yu Zou, Zhaochuan Fan, Jiang Jiang

J. Chem. Phys. 160, 204703 (2024)

https://doi.org/10.1063/5.0201185

Published: May 2024

View article titled, Cysteine-induced growth of jagged gold bipyramids from penta-twinned nanorod seeds

Includes: Supplementary data

Journal Articles

On the nature of two-photon transitions for a collection of molecules in a Fabry–Perot cavity

Zeyu Zhou, Hsing-Ta Chen, Maxim Sukharev, Joseph E. Subotnik, Abraham Nitzan

J. Chem. Phys. 160, 094107 (2024)

https://doi.org/10.1063/5.0180910

Published: March 2024

View article titled, On the nature of two-photon transitions for a collection of molecules in a Fabry–Perot cavity

Journal Articles

Effects of plasmon coupling on circular dichroism of chiral nanoparticle arrays

Shuki Kuroki, Takuya Ishida, Tetsu Tatsuma

J. Chem. Phys. 160, 064702 (2024)

https://doi.org/10.1063/5.0185286

Published: February 2024

View article titled, Effects of plasmon coupling on circular dichroism of chiral nanoparticle arrays

Includes: Supplementary data

Journal Articles

A hybrid quantum–classical theory for predicting terahertz charge-transfer plasmons in metal nanoparticles on graphene

A. S. Fedorov, E. V. Eremkin, P. O. Krasnov, V. S. Gerasimov, H. Ågren, S. P. Polyutov

J. Chem. Phys. 160, 044117 (2024)

https://doi.org/10.1063/5.0178247

Published: January 2024

View article titled, A hybrid quantum–classical theory for predicting terahertz charge-transfer plasmons in metal nanoparticles on graphene

Journal Articles

Plasmon-induced magnetic anapole mode assisted strong field enhancement

Jingyu Wang, Weimin Yang, Yonglin He

J. Chem. Phys. 159, 244701 (2023)

https://doi.org/10.1063/5.0180255

Published: December 2023

View article titled, Plasmon-induced magnetic anapole mode assisted strong field enhancement

Journal Articles

Accurate and efficient calculations of Hellmann–Feynman forces for quantum computation

Juntao Lai, Yi Fan, Qiang Fu, Zhenyu Li, Jinlong Yang

J. Chem. Phys. 159, 114113 (2023)

https://doi.org/10.1063/5.0167444

Published: September 2023

View article titled, Accurate and efficient calculations of Hellmann–Feynman forces for quantum computation

Journal Articles

Real-space solution to the electronic structure problem for nearly a million electrons

Mehmet Dogan, Kai-Hsin Liou, James R. Chelikowsky

J. Chem. Phys. 158, 244114 (2023)

https://doi.org/10.1063/5.0150864

Published: June 2023

View article titled, Real-space solution to the electronic structure problem for nearly a million electrons

Journal Articles

An in-silico NMR laboratory for nuclear magnetic shieldings computed via finite fields: Exploring nucleus-specific renormalizations of MP2 and MP3

Jonathan Wong, Brad Ganoe, Xiao Liu, Tim Neudecker, Joonho Lee, Jiashu Liang, Zhe Wang, Jie Li, Adam Rettig, Teresa Head-Gordon, Martin Head-Gordon

J. Chem. Phys. 158, 164116 (2023)

https://doi.org/10.1063/5.0145130

Published: April 2023

View article titled, An in-silico NMR laboratory for nuclear magnetic shieldings computed via finite fields: Exploring nucleus-specific renormalizations of MP2 and MP3

Includes: Supplementary data

Journal Articles

Coaction effect of radiative and non-radiative damping on the lifetime of localized surface plasmon modes in individual gold nanorods

Yulu Qin, Yang Xu, Boyu Ji, Xiaowei Song, Jingquan Lin

J. Chem. Phys. 158, 104701 (2023)

https://doi.org/10.1063/5.0134709

Published: March 2023

View article titled, Coaction effect of radiative and non-radiative damping on the lifetime of localized surface plasmon modes in individual gold nanorods

Journal Articles

PESPIP: Software to fit complex molecular and many-body potential energy surfaces with permutationally invariant polynomials

Paul L. Houston, Chen Qu, Qi Yu, Riccardo Conte, Apurba Nandi, Jeffrey K. Li, Joel M. Bowman

J. Chem. Phys. 158, 044109 (2023)

https://doi.org/10.1063/5.0134442

Published: January 2023

View article titled, PESPIP: Software to fit complex molecular and many-body potential energy surfaces with permutationally invariant polynomials

Includes: Supplementary data

Journal Articles

Plasmonic hot carrier-driven photoelectrochemical water splitting on antenna–reactor Pt/Ag/TiO₂ Schottky nanodiodes

Heeyoung Kim, Hyewon Park, Mincheol Kang, Jeong Young Park

J. Chem. Phys. 157, 084701 (2022)

https://doi.org/10.1063/5.0097713

Published: August 2022

View article titled, Plasmonic hot carrier-driven photoelectrochemical water splitting on antenna–reactor Pt/Ag/TiO2 Schottky nanodiodes

Includes: Supplementary data

Journal Articles

Electron–phonon effects on the photoacoustic response of gold core–silica shell nanoparticles: From the linear regime to nanocavitation

Julien Lombard, Thierry Biben, Samy Merabia

J. Chem. Phys. 156, 084701 (2022)

https://doi.org/10.1063/5.0078457

Published: February 2022

View article titled, Electron–phonon effects on the photoacoustic response of gold core–silica shell nanoparticles: From the linear regime to nanocavitation

Journal Articles

Theory of molecular emission power spectra. II. Angle, frequency, and distance dependence of electromagnetic environment factor of a molecular emitter in plasmonic environments

Ming-Wei Lee, Yi-Ting Chuang, Liang-Yan Hsu

J. Chem. Phys. 155, 074101 (2021)

https://doi.org/10.1063/5.0057018

Published: August 2021

View article titled, Theory of molecular emission power spectra. II. Angle, frequency, and distance dependence of electromagnetic environment factor of a molecular emitter in plasmonic environments

Journal Articles

Hyperdynamics simulations with ab initio forces

Hong-Yang Gu, Weiguo Gao, Xin-Gao Gong

J. Chem. Phys. 154, 214112 (2021)

https://doi.org/10.1063/5.0047669

Published: June 2021

View article titled, Hyperdynamics simulations with ab initio forces

Includes: Supplementary data

Journal Articles

Time-reversible and norm-conserving high-order integrators for the nonlinear time-dependent Schrödinger equation: Application to local control theory

Julien Roulet, Jiří Vaníček

J. Chem. Phys. 154, 154106 (2021)

https://doi.org/10.1063/5.0050071

Published: April 2021

View article titled, Time-reversible and norm-conserving high-order integrators for the nonlinear time-dependent Schrödinger equation: Application to local control theory

Includes: Supplementary data

Journal Articles

Evolutionary optimization of light-matter coupling in open plasmonic cavities

Ping Bai, Stan ter Huurne, Erik van Heijst, Shunsuke Murai, Jaime Gómez Rivas

J. Chem. Phys. 154, 134110 (2021)

https://doi.org/10.1063/5.0042056

Published: April 2021

View article titled, Evolutionary optimization of light-matter coupling in open plasmonic cavities

Includes: Supplementary data

Journal Articles

Charge transfer plasmons in the arrays of nanoparticles connected by conductive linkers

A. S. Fedorov, M. A. Visotin, V. S. Gerasimov, S. P. Polyutov, P. A. Avramov

J. Chem. Phys. 154, 084123 (2021)

https://doi.org/10.1063/5.0040128

Published: February 2021

View article titled, Charge transfer plasmons in the arrays of nanoparticles connected by conductive linkers

NARROW

Topics

A unique approach to address avoided crossings in the charge stabilization curve for LUMO identification

Plasmon-mediated dynamics and lasing of nanoemitters enhanced by dispersing nanorings

Voltage-induced modulation of interfacial ionic liquids measured using surface plasmon resonant grating nanostructures

Cysteine-induced growth of jagged gold bipyramids from penta-twinned nanorod seeds

On the nature of two-photon transitions for a collection of molecules in a Fabry–Perot cavity

Effects of plasmon coupling on circular dichroism of chiral nanoparticle arrays

A hybrid quantum–classical theory for predicting terahertz charge-transfer plasmons in metal nanoparticles on graphene

Plasmon-induced magnetic anapole mode assisted strong field enhancement

Accurate and efficient calculations of Hellmann–Feynman forces for quantum computation

Real-space solution to the electronic structure problem for nearly a million electrons

An in-silico NMR laboratory for nuclear magnetic shieldings computed via finite fields: Exploring nucleus-specific renormalizations of MP2 and MP3

Coaction effect of radiative and non-radiative damping on the lifetime of localized surface plasmon modes in individual gold nanorods

PESPIP: Software to fit complex molecular and many-body potential energy surfaces with permutationally invariant polynomials

Plasmonic hot carrier-driven photoelectrochemical water splitting on antenna–reactor Pt/Ag/TiO₂ Schottky nanodiodes

Electron–phonon effects on the photoacoustic response of gold core–silica shell nanoparticles: From the linear regime to nanocavitation

Theory of molecular emission power spectra. II. Angle, frequency, and distance dependence of electromagnetic environment factor of a molecular emitter in plasmonic environments

Hyperdynamics simulations with ab initio forces

Time-reversible and norm-conserving high-order integrators for the nonlinear time-dependent Schrödinger equation: Application to local control theory

Evolutionary optimization of light-matter coupling in open plasmonic cavities

Charge transfer plasmons in the arrays of nanoparticles connected by conductive linkers

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