Results 41 to 50 of about 9,826 (198)
Light Switchable Ionic Conductivity of Arylazopyrazole Modified Polysiloxanes
Advanced Materials Technologies, EarlyView.We present a polysiloxane functionalized with a novel arylazopyrazole dye that undergoes reversible photoisomerization. Upon lithium bis(trifluoromethanesulfonyl)imide addition and UV irradiation, the polymer exhibits a shift in tan(d) toward higher frequencies and enhanced ionic conductivity.
Malte S. Beccard +7 more
wiley +1 more source
Strange Heat Flux in (An)Harmonic Networks
, 2003 We study the heat transport in systems of coupled oscillators driven out of equilibrium by Gaussian heat baths. We illustrate with a few examples that such systems can exhibit ``strange'' transport phenomena. In particular, {\em circulation} of heat flux
Eckmann, Jean-Pierre, Zabey, Emmanuel
core +2 more sources
Calculation of the Characteristic Functions of Anharmonic Oscillators [PDF]
, 2010 The energy levels of quantum systems are determined by quantization conditions. For one-dimensional anharmonic oscillators, one can transform the Schrodinger equation into a Riccati form, i.e., in terms of the logarithmic derivative of the wave function.
Alvarez +25 more
core +2 more sources
Advanced Science, EarlyView.Deuterated MOFs in this work exhibited unprecedented giant luminescence isotope effect via O─H oscillator suppression, achieving maximal solid‐state materials emission enhancement. This yields significantly improved X‐ray detection sensitivity and imaging resolution, marking the first integration of MOFs with isotopic luminescence and opening new ...
Junhao Lu +16 more
wiley +1 more source
Perturbative analysis of Newton-equivalent quantum quartic anharmonic oscillators [PDF]
Warasan Witthayasat Lae Theknoloyi Mahawitthayalai Mahasarakham, 2019 Newton-equivalent Hamiltonians are Hamiltonians whose classical dynamics agree with those from the standard Hamiltonian. In this work, we perturbatively work out energy spectra and wavefunctions of quantum mechanical Newton-equivalent Hamiltonians with ...
Pichet Vanichchapongjaroen
doaj
Molecules and the Eigenstate Thermalization Hypothesis
Entropy, 2018 We review a theory that predicts the onset of thermalization in a quantum mechanical coupled non-linear oscillator system, which models the vibrational degrees of freedom of a molecule.
David M. Leitner
doaj +1 more source
Path Integral Methods in the Su-Schrieffer-Heeger Polaron Problem
, 2007 I propose a path integral description of the Su-Schrieffer-Heeger Hamiltonian, both in one and two dimensions, after mapping the real space model onto the time scale. While the lattice degrees of freedom are classical functions of time and are integrated
Zoli, Marco
core +1 more source
ChemPhysChem, Volume 26, Issue 6, March 15, 2025.Linear infrared spectroscopy combined with isotope labeling and density functional theory unravels the origin of a Fermi triad in a multifunctional vibrational chromophore. Ultrafast 2DIR‐spectroscopy reports directly on the dynamics and the intramolecular vibrational energy flow pathways in the isotopically deperturbed system. Abstract Infrared probes
Claudia Gräve +4 more
wiley +1 more source
Statistical mechanics of anharmonic lattices
, 2003 This paper is a review on the statistical mechanics of anharmonic oscillators coupled to heat reservoirs. We discuss stationary states (existence and ergodic properties) and entropy production (positivity, Green-Kubo formulas and the Gallavotti-Cohen ...
Dedicated Lawrence +2 more
core +2 more sources
Anisotropy Factor Spectra for Weakly Allowed Electronic Transitions in Chiral Ketones
ChemPhysChem, Volume 26, Issue 6, March 15, 2025.Anisotropy factor spectra for the weak n→π*‐type A‐band of chiral ketones cannot be described within the Franck–Condon approximation. Thus, we present such spectra computed by accounting for Herzberg–Teller corrections and compare them to experiments for fenchone, camphor and 3MCP to describe chiroptical properties of these molecules in the mid to near
Leon A. Kerber +5 more
wiley +1 more source