Related papers: Linear and nonlinear optical properties from TDOMP…
We present a domain-based local pair natural orbital M{\o}ller--Plesset second order perturbation theory (DLPNO-MP2) for periodic systems, working within an LCAO formalism within the Tubromole program package. This approach,…
The performance of time-independent, orbital optimized calculations of excited states is assessed with respect to charge transfer excitations in organic molecules in comparison to the linear-response time-dependent density functional theory…
We propose a method for estimating the asymptotic phase and amplitude functions of limit-cycle oscillators using observed time series data without prior knowledge of their dynamical equations. The estimation is performed by polynomial…
We introduce the time-dependent ghost Gutzwiller approximation (td-gGA), a non-equilibrium extension of the ghost Gutzwiller approximation (gGA), a powerful variational approach which systematically improves on the standard Gutzwiller…
Diffusion Magnetic Resonance Imaging (dMRI) is an imaging technique with exquisite sensitivity to the microstructural properties of heterogeneous media. The conventionally adopted acquisition schemes involving single pulsed field gradients…
One of the fundamental challenges associated with reinforcement learning (RL) is that collecting sufficient data can be both time-consuming and expensive. In this paper, we formalize a concept of time reversal symmetry in a Markov decision…
The wavelength and system-resolution dependencies of dynamic optical coherence tomography (DOCT) are investigated experimentally and numerically. Experimental investigations demonstrate significant wavelength dependency for the DOCT values…
The variational calculation of the two-electron reduced density matrix (2-RDM) is extended to periodic molecular systems. If the 2-RDM theory is extended to the periodic case without consideration of time-reversal symmetry, however, it can…
With growing demand for time-domain simulations of correlated many-body systems, the development of efficient and stable integration schemes for the time-dependent Schr\"odinger equation is of keen interest in modern electronic structure…
The promise of active nanophotonics technology relies on the confinement and control of light at the nanoscale. Confinement via plasmonics, dielectric resonators, and waveguides can be complemented with materials whose optical properties…
We consider the problem of planning under observation and motion uncertainty for nonlinear robotics systems. Determining the optimal solution to this problem, generally formulated as a Partially Observed Markov Decision Process (POMDP), is…
We propose a theoretical and computational approach to investigate temporal behavior of a nonlinear polarization in perturbative regime induced by an intense and ultrashort pulsed electric field. First-principles time-dependent density…
Using optimal control, we establish and link the ultimate bounds in time (referred to as quantum speed limit) and energy of two- and three-level quantum nonlinear systems which feature 1:2 resonance. Despite the unreachable complete…
In this article we study inverse problems of recovering a space-time dependent source component from the lateral boundary observation in a subidffusion model. The mathematical model involves a Djrbashian-Caputo fractional derivative of…
The validity of optimized dynamical decoupling (DD) is extended to analytically time dependent Hamiltonians. As long as an expansion in time is possible the time dependence of the initial Hamiltonian does not affect the efficiency of…
Linear mechanical systems with time-modulated parameters can harbor oscillations with amplitudes that grow or decay exponentially with time due to the phenomenon of parametric resonance. While the resonance properties of individual…
We present a generalization of the Time Dependent Variational Principle (TDVP) to any finite sized loop-free tensor network. The major advantage of TDVP is that it can be employed as long as a representation of the Hamiltonian in the same…
The time-dependent optical properties of microalgae are crucial for light transfer in photobioreactor (PBR) designs. Here, the time-dependent optical properties were derived using electromagnetic scattering theory informed by the…
We present a theoretical model to sufficiently investigate the optical rotational Doppler effect based on modal expansion method. We find that the frequency shift content is only determined by the surface of spinning object and the reduced…
Time-dependent density functional theory (TDDFT) is a widely used method to investigate electron dynamics under external time-dependent perturbations such as laser fields. In this work, we present a machine learning approach to accelerate…