Related papers: Simulating vibronic spectra via Matsubara dynamics…
Molecular absorption and photo-electron spectra can be efficiently predicted with real-time time-dependent density-functional theory (TDDFT). We show here how these techniques can be easily extended to study time-resolved pump-probe…
This paper presents a novel approach to understanding the role of harmonic dynamics and gaining a deeper appreciation for its impact within and outside of quantum mechanics. This includes consequences of harmonic dynamics and the…
Understanding the realization of thermal equilibrium through the thermalization process in a many-body system is a fundamental and complex scientific question, bridging thermodynamics and classical dynamics and connecting to a host of…
The perception and recognition of the surroundings is one of the essential tasks for a robot. With preliminary knowledge about a target object, it can perform various manipulation tasks such as rolling motion, palpation, and force control.…
Accurate solution of the Schr\"odinger equation with Deng-Fan potential is presented by means of Nikiforov-Uvarov method. A modified Pekeris-type approximation is proposed for the centrifugal term, from a linear combination of the $r \to 0$…
When a quantum field is in contact with a thermal bath, the vacuum state of the field may be generalized to a thermal vacuum state, which takes into account the thermal noise. In thermo field dynamics, this is realized by doubling the…
Multireference alignment (MRA) refers to the problem of recovering a signal from noisy samples subject to random circular shifts. Expectation--maximization (EM) and variational approaches use statistical modeling to achieve high accuracy at…
A method is proposed to handle the sign problem in the simulation of systems having indefinite or complex-valued measures. In general, this new approach, which is based on renormalisation blocking, is shown to yield statistical errors…
We propose a time-adaptive predictor/multi-corrector method to solve hyperbolic partial differential equations, based on the generalized-$\alpha$ scheme that provides user-control on the numerical dissipation and second-order accuracy in…
Mean-field molecular dynamics based on path integrals is used to approximate canonical quantum observables for particle systems consisting of nuclei and electrons. A computational bottleneck is the sampling from the Gibbs density of the…
We present a rigorous and efficient approach to the calculation of classical lattice-dynamical quantities from simulations that do not require an explicit solution of the time evolution. We focus on the temperature-dependent vibrational…
We investigate the capabilities of loss-tolerant quantum state characterization using a photon-number resolving, time-multiplexed detector (TMD). We employ the idea of probing the Wigner function point-by-point in phase space via photon…
In the domain of physics experiments, data fitting is a pivotal technique for extracting insights from both experimental and simulated datasets. This article presents an approximation method designed to estimate the systematic errors…
The Tribomechadynamics Research Challenge (TRC) was a blind prediction of the vibration behavior of a thin plate clamped on two sides using bolted joints. The first bending mode's natural frequency and damping ratio were requested as…
Controllable arrays of ions and ultra-cold atoms can simulate complex many-body phenomena and may provide insights into unsolved problems in modern science. To this end, experimentally feasible protocols for quantifying the buildup of…
Including finite-temperature effects from the electronic degrees of freedom in electronic structure calculations of semiconductors and metals is desired; however, in practice it remains exceedingly difficult when using zero-temperature…
The numerical simulation of dynamical phenomena in interacting quantum systems is a notoriously hard problem. Although a number of promising numerical methods exist, they often have limited applicability due to the growth of entanglement or…
We present a path integral formalism for expressing matrix elements of the density matrix of a quantum many-body system between any two coherent states in terms of standard Matsubara action with periodic(anti-periodic) boundary conditions…
Time-frequency (TF) representations of time series are intrinsically subject to the boundary effects. As a result, the structures of signals that are highlighted by the representations are garbled when approaching the boundaries of the TF…
We propose a phase-space Wigner harmonics entropy measure for many-body quantum dynamical complexity. This measure, which reduces to the well known measure of complexity in classical systems and which is valid for both pure and mixed states…