Linear Response Theory of Composite System
Sign Up to like & getrecommendations! Published in 2020 at "International Journal of Theoretical Physics"
DOI: 10.1007/s10773-020-04445-w
Abstract: Kubo’s linear response theory is a general theory on the susceptibility or magnetization of the medium and various transport phenomena in the equilibrium region. It is based on the first-order perturbation theory and has been… read more here.
Keywords: response theory; system; response; linear response ... See more keywords
Midpoint Distribution of Directed Polymers in the Stationary Regime: Exact Result Through Linear Response
Sign Up to like & getrecommendations! Published in 2017 at "Journal of Statistical Physics"
DOI: 10.1007/s10955-017-1839-2
Abstract: We obtain an exact result for the midpoint probability distribution function (pdf) of the stationary continuum directed polymer, when averaged over the disorder. It is obtained by relating that pdf to the linear response of… read more here.
Keywords: exact result; linear response; function; result ... See more keywords
Enhancing Non-linear Response of Fullerene via Incorporation of Gold Nanoparticles
Sign Up to like & getrecommendations! Published in 2019 at "Plasmonics"
DOI: 10.1007/s11468-019-01042-4
Abstract: Bi-functional nanocomposite thin films of fullerene C 60 and C 70 containing Au NPs were synthesized using thermal co-evaporation method. Different atomic concentrations of Au metal varying from 5 to 35 at.% was chosen to… read more here.
Keywords: metal concentration; linear response; non linear; spectroscopy ... See more keywords
Simulations of the unsteady response of biomass burning particles exposed to oscillatory heat flux conditions
Sign Up to like & getrecommendations! Published in 2021 at "Fire Safety Journal"
DOI: 10.1016/j.firesaf.2020.103059
Abstract: Abstract Understanding the mechanisms responsible for the ignition and pyrolysis of natural vegetation fuel is crucial in modeling the rate of spread of wildland fires. This study provides a fundamental understanding of the burning process… read more here.
Keywords: response; linear response; oscillatory heat; heat ... See more keywords
Er3+ doped ferroelectric Pb(Mg1/3Nb2/3)O3–0.25PbTiO3 ceramic used as a linear response fluorescent temperature sensor
Sign Up to like & getrecommendations! Published in 2017 at "Journal of Luminescence"
DOI: 10.1016/j.jlumin.2016.08.044
Abstract: Abstract Er 3+ doped ferroelectric Pb(Mg 1/3 Nb 2/3 )O 3 –0.25PbTiO 3 (PMN–PT) ceramic was grown by using a two-stage sintering method. The sample shows relatively strong upconversion (UC) visible fluorescence under a 980 nm… read more here.
Keywords: temperature; linear response; doped ferroelectric; ferroelectric mg1 ... See more keywords
Frequency-Dependent Sternheimer Linear-Response Formalism for Strongly Coupled Light–Matter Systems
Sign Up to like & getrecommendations! Published in 2022 at "Journal of Chemical Theory and Computation"
DOI: 10.1021/acs.jctc.2c00076
Abstract: The rapid progress in quantum-optical experiments, especially in the field of cavity quantum electrodynamics and nanoplasmonics, allows one to substantially modify and control chemical and physical properties of atoms, molecules, and solids by strongly coupling… read more here.
Keywords: matter; light matter; linear response; sternheimer ... See more keywords
Efficient Calculation of Magnetic Circular Dichroism Spectra Using Spin-Noncollinear Linear-Response Time-Dependent Density Functional Theory in Finite Magnetic Fields.
Sign Up to like & getrecommendations! Published in 2022 at "Journal of chemical theory and computation"
DOI: 10.1021/acs.jctc.2c00232
Abstract: Excited-state calculations in finite magnetic fields are presented in the framework of spin-noncollinear linear-response time-dependent density functional theory. To ensure gauge-origin invariance, London atomic orbitals are employed throughout. An efficient implementation into the Turbomole package,… read more here.
Keywords: theory; linear response; spin noncollinear; noncollinear linear ... See more keywords
Accelerating Linear-Response Time-Dependent Hybrid Density Functional Theory with Low-Rank Decomposition Techniques in the Plane-Wave Basis.
Sign Up to like & getrecommendations! Published in 2022 at "Journal of chemical theory and computation"
DOI: 10.1021/acs.jctc.2c00763
Abstract: We present an efficient low-rank implementation of linear-response time-dependent density functional theory for hybrid functionals (hybrid-LR-TDDFT) within the plane-wave pseudopotential framework. The adaptively compressed exchange (ACE) operator and the natural transition orbitals (NTOs) are introduced… read more here.
Keywords: theory; linear response; time dependent; low rank ... See more keywords
Investigating the Linear Response Function under Approximations Following the Coupled-Perturbed Approach for Atoms and Molecules.
Sign Up to like & getrecommendations! Published in 2023 at "Journal of chemical theory and computation"
DOI: 10.1021/acs.jctc.3c00323
Abstract: The linear response kernel also referred to as linear response function (LRF) in the framework of conceptual density functional theory has gained tremendous success in time-dependent density functional theory. Comparatively less attention has been devoted… read more here.
Keywords: response function; coupled perturbed; approximation; linear response ... See more keywords
Assessment of Interstate Spin-Orbit Couplings from Linear Response Amplitudes.
Sign Up to like & getrecommendations! Published in 2017 at "Journal of chemical theory and computation"
DOI: 10.1021/acs.jctc.6b01122
Abstract: In this work, we report benchmark spin-orbit calculations for a representative set of electronic states including π → π*, n → π*, and π → σ* and Rydberg states of organic molecules. Auxiliary many-electron wave… read more here.
Keywords: spin orbit; assessment interstate; linear response; orbit ... See more keywords
Corrected Polarizable Embedding: Improving the Induction Contribution to Perichromism for Linear Response Theory.
Sign Up to like & getrecommendations! Published in 2018 at "Journal of chemical theory and computation"
DOI: 10.1021/acs.jctc.7b01033
Abstract: An extension of the polarizable embedding (PE) approach for the computation of perichromatic shifts within linear response theory, termed corrected PE, is presented. It covers the change in induction effects in addition to contributions from… read more here.
Keywords: response theory; response; linear response; polarizable embedding ... See more keywords