Related papers: Integrated, stretched, and adiabatic solid effects
Non-adiabatic effects play an important role in many chemical processes. In order to study the underlying non-adiabatic potential-energy surfaces (PESs), we present a locally-constrained density-functional theory approach, which enables us…
Non-adiabatic effects arising from electron-phonon interactions are often neglected within the Born-Oppenheimer (BO) approximation, which assumes that electronic states adjust instantaneously to nuclear motion. The exact factorization (EF)…
We present a quantum mechanical theory of optically induced dynamic nuclear polarization applicable to quantum dots and other interacting spin systems. The exact steady state of the optically driven coupled electron-nuclear system is…
Coupled electron-nuclear spins represent a promising quantum system, where the optically induced electron spin polarization can be dynamically transferred to nuclear spins via the hyperfine interaction. Most experiments on dynamic nuclear…
The magnetic interactions between the spin of an unpaired electron and the surrounding nuclear spins can be exploited to gain structural information, to reduce nuclear relaxation times as well as to create nuclear hyperpolarization via…
We study the exact Time-Dependent Potential Energy Surface (TDPES) in the presence of strong non-adiabatic coupling between the electronic and nuclear motion. The concept of the TDPES emerges from the exact factorization of the full…
The electric dipole strength distribution in 120Sn between 5 and 22 MeV has been determined at RCNP Osaka from a polarization transfer analysis of proton inelastic scattering at E_0 = 295 MeV and forward angles including 0{\deg}. Combined…
The available theoretical approaches aiming at describing Dynamic Nuclear spin Polarization (DNP) in solutions containing molecules of biomedical interest and paramagnetic centers are not able to model the behaviour observed upon varying…
It has been a long-standing goal to improve dispersive qubit readout with squeezed light. However, injected external squeezing (IES) {\it cannot} enable a practically interesting increase in the signal-to-noise ratio (SNR), and…
We consider estimating average treatment effects (ATE) of a binary treatment in observational data when data-driven variable selection is needed to select relevant covariates from a moderately large number of available covariates…
We consider a two-dimensional system of elongated particles driven over a random quenched disorder landscape. For varied pinning site density, external drive magnitude, and particle elongation, we find a wide variety of dynamic phases,…
Phonon properties of realistic materials are routinely calculated within the Density Functional Perturbation Theory\,(DFPT). This is a semi--classical approach where the atoms are assumed to oscillate along classical trajectories immersed…
Theoretical calculations are contributing a significantly higher proportion of data to contemporary spectroscopic databases, which have traditionally relied on experimental observations and semi-empirical models. It is now a common…
We investigate differential electron distributions in nonsequential double ionization (NSDI) with linearly polarized, few-cycle pulses, using a classical model based on a laser-assisted inelastic $(e^-,2e^-)$ rescattering mechanism. We show…
The current study is motivated by the paper [Z. Liu, et al., {\it Science}, 289(5485), 2000], which investigates the incorporation of hard inclusions within a soft elastic matrix (HISE). The objective is to attain a negative mass density,…
Proton and $\alpha$-particle energy spectra were measured in coincidence with fission fragments at different relative angles in $^{16}$O (96 MeV) + $^{232}$Th reaction. The multiplicity spectra were analyzed within the framework of a Moving…
Demonstrating the quantum-confined Stark effect (QCSE) in silicon nanocrystals (NCs) embedded in oxide has been rather elusive, unlike the other materials. Here, the recent experimental data from ion-implanted Si NCs is unambiguously…
In this Letter, through the comparison between experiment and numerical simulation, we reveal the dynamic mechanism underlying the abnormal polarity effect in SF6 short-gap DC breakdown, as well as a novel criterion for predicting negative…
Stochastic and mixed stochastic-deterministic density functional theory (DFT) are promising new approaches for the calculation of the equation-of-state and transport properties in materials under extreme conditions. In the intermediate warm…
The change of physical conditions across the turbulent and magnetized interstellar medium (ISM) induces a 3D spatial variation of the properties of Galactic polarized emission. The observed signal results from the averaging of different…