Related papers: Linear and nonlinear optical properties from TDOMP…
Interpretation of time-resolved spectroscopies such as transient absorption (TA) or two-dimensional (2D) spectroscopy often relies on the perturbative description of light-matter interaction. In many cases the third order of nonlinear…
Orthogonal delay-Doppler (DD) division multiplexing (ODDM) modulation has recently emerged as a promising paradigm for ensuring reliable communications in doubly-selective channels. This work investigates the spectra and orthogonality…
The time-dependent Schr\"odinger equation (TDSE) in real space is fundamental to understanding the dynamics of many-electron quantum systems, with applications ranging from quantum chemistry to condensed matter physics and materials…
Linear-response time-dependent density-functional theory (TDDFT) can describe excitonic features in the optical spectra of insulators and semiconductors, using exchange-correlation (xc) kernels behaving as $-1/k^{2}$ to leading order. We…
We suggest a mechanism based on spike time dependent plasticity (STDP) of synapses to store, retrieve and predict temporal sequences. The mechanism is demonstrated in a model system of simplified integrate-and-fire type neurons densely…
Resonant tunneling through quantum dot under a finite bias voltage at zero temperature is investigated by using the adaptive time-dependent density matrix renormalization group(TdDMRG) method. Quantum dot is modeled by the Anderson…
We apply the adiabatic time-dependent density functional theory to magnetic ci the real-space, real-time computational method. The standard formulas for the MCD response and its A and B terms are derived from the observables in the…
The optical properties of molecules close to plasmonic nanostructures greatly differ from their isolated molecule counterparts. To theoretically investigate such systems in a Quantum Chemistry perspective, one has to take into account that…
A new class of orbital-dependent exchange-correlation (xc) potentials for applications in noncollinear spin-density-functional theory is developed. Starting from the optimized effective potential (OEP) formalism for the exact exchange…
Simulations of laser-induced electron dynamics in a molecular system are performed using time-dependent (TD) equation-of-motion (EOM) coupled-cluster (CC) theory. The target system has been chosen to highlight potential shortcomings of…
Low-scaling electron correlation theory based on the pair natural orbital approximation, PNO-CCSD(T), has become a powerful computational tool. Motivated by the recent discovery of large errors for organometallic molecules, we assess the…
We present a computationally efficient approach to solve the time-dependent Kohn-Sham equations in real-time using higher-order finite-element spatial discretization, applicable to both pseudopotential and all-electron calculations. To this…
Quantitative cardiac magnetic resonance T1 and T2 mapping enable myocardial tissue characterisation but the lengthy scan times restrict their widespread clinical application. We propose a deep learning method that incorporates a time…
We provide a time-dependent Dyson map and metric for the two dimensional harmonic oscillator with a non-Hermitian $i xy$ coupling term. This particular time-independent model exhibits spontaneously broken $\mathcal{PT}$-symmetry and becomes…
We present a spin-adapted time-dependent coupled cluster singles and doubles model for the molecular response to a sequence of ultrashort laser pulses. The implementation is used to calculate the electronic response to a valence-exciting…
Reduced density matrix functional theory (RDMFT) and coupled cluster theory restricted to paired double excitations (pCCD) are emerging as efficient methodologies for accounting for the so-called non-dynamic electronic correlation effects.…
In time-domain synchronous OFDM (TDS-OFDM) system for digital television terrestrial multimedia broadcasting (DTMB) standard, the baseband OFDM signal is upsampled and shaping filtered by square root raised cosine (SRRC) filter before…
Problems in the field of open quantum systems often involve an environment that strongly influences the dynamics of excited states. Here we present a numerical method to model optical spectra of non-Markovian open quantum systems. The…
Purpose: An end-to-end deep convolutional neural network (CNN) based on deep residual network (ResNet) was proposed to efficiently reconstruct reliable T2 mapping from single-shot OverLapping-Echo Detachment (OLED) planar imaging. Methods:…
We propose a non-perturbative numerical approach to calculate the spectrum of a many-body Hamiltonian with time and momentum resolution by exactly recreating a scattering event using the time-dependent Schr\"odinger equation. Akin an actual…