相关论文: Time-dependent multiconfiguration self-consistent-…
The motion distortion in LiDAR scans caused by aggressive robot motion and varying terrain features significantly impacts the positioning and mapping performance of 3D LiDAR odometry. Existing distortion correction solutions often struggle…
The extension of the highly-optimized local natural orbital (LNO) CCSD(T) method is presented for high-spin open-shell molecules. The techniques enabling the outstanding efficiency of the closed-shell LNO-CCSD(T) variant are adopted,…
Density functional theory (DFT) based modeling of electronic excited states is of importance for investigation of the photophysical/photochemical properties and spectroscopic characterization of large systems. The widely used linear…
Within the framework of natural orbital functional theory, having a convenient representation of the occupation numbers and orbitals becomes critical for the computational performance of the calculations. Recognizing this, we propose an…
The increasing need to simulate the dynamics of photoexcited molecular and nanosystems in the sub-picosecond regime demands new efficient tools able to describe the quantum nature of matter at a low computational cost. By combining the…
We introduce an analytical framework to calculate the values of key observables in a strongly disordered discrete time crystal (DTC) without fitting parameter. The perturbatively obtained closed-form formulae show quantitative agreement…
The dual fermion method is a multiscale approach for solving lattice problems of interacting strongly correlated systems. In this paper, we present the \texttt{opendf} code, an open-source implementation of the dual fermion method…
The last several decades have seen significant advances in the theoretical modeling of materials within the fields of solid-state physics and materials science, but many methods commonly applied to this problem struggle to capture strong…
Natural orbital functional (NOF) theory offers a promising approach for studying strongly correlated systems at an affordable computational cost, with an accuracy comparable to highly demanding wavefunction-based methods. However, its…
The Lindblad equation for open quantum systems is central to our understanding of coherence and entanglement in the presence of Markovian dissipation. In closed quantum systems Hilbert-space fragmentation is an effective mechanism for…
Optical and radar satellite time series are synergetic: optical images contain rich spectral information, while C-band radar captures useful geometrical information and is immune to cloud cover. Motivated by the recent success of temporal…
Warm dense matter (WMD) describes an intermediate phase, between condensed matter and classical plasmas, found in natural and man-made systems. In a laboratory setting, WDM needs to be created dynamically. It is typically laser or…
This work introduces novel unconditionally stable operator splitting methods for solving the time dependent nonlinear Poisson-Boltzmann (NPB) equation for the electrostatic analysis of solvated biomolecules. In a pseudo-transient…
In this paper, a wideband cell-free multi-stream multi-user Multiple-Input Multiple-Output (MIMO) Orthogonal Frequency Division Multiplexing (OFDM) system is considered operating within a smart wireless environment enabled by multiple…
In this work, we present a time-dependent (TD) selected configuration interaction method based on our recently-introduced adaptive configuration interaction (ACI). We show that ACI, in either its ground or excited state formalisms, is…
A single-step high-order implicit time integration scheme with controllable numerical dissipation at high frequencies is presented for the transient analysis of structural dynamic problems. The amount of numerical dissipation is controlled…
This work introduces a data-driven, non-intrusive reduced-order modeling (ROM) framework that leverages Optimal Transport (OT) for multi-fidelity and parametric problems in two-phase flows modelling. Building upon the success of…
The real-time electronic dynamics on material surfaces is critically important to a variety of applications. However, their simulations have remained challenging for conventional methods such as the time-dependent density-functional theory…
An intelligent reflecting surface (IRS)-aided wireless powered mobile edge computing (WP-MEC) system is conceived, where each device's computational task can be divided into two parts for local computing and offloading to mobile edge…
Discrete-time fractional-order dynamical systems (DT-FODS) have found innumerable applications in the context of modeling spatiotemporal behaviors associated with long-term memory. Applications include neurophysiological signals such as…