相关论文: Gauge-invariant formulation of time-dependent conf…

Strong field photoemission and electron recollision provide a viable route to extract electronic and nuclear dynamics from molecular targets with attosecond temporal resolution. However, since an {\em ab-initio} treatment of even the…

Variational multiscale (VMS) methods offer a robust framework for handling under-resolved flow scales without resorting to problem-specific turbulence models. Here, we propose and assess a dynamic, term-by-term VMS stabilized formulation…

Many-electron wavepacket dynamics based on time-dependent configuration interaction (TDCI) is a numerically rigorous approach to quantitatively model electron-transfer across molecular junctions. TDCI simulations of cyanobenzene…

Lattice gauge theories are a fascinating and rich class of theories relating to the most fundamental models of particle physics, and as experimental control on the quantum level increases there is a growing interest in non-equilibrium…

A method for incorporating electromagnetic fields into empirical tight-binding theory is derived from the principle of local gauge symmetry. Gauge invariance is shown to be incompatible with empirical tight-binding theory unless a…

Consistent interactions that can be added to a free, Abelian gauge theory comprising a BF model and a finite set of massless real scalar fields are constructed from the deformation of the solution to the master equation based on specific…

Motivation : Several theoretical comparisons with experimental data have recently pointed out that the mass tensor of the collective Bohr Hamiltonian cannot be considered as a constant and should be taken as a function of the collective…

In this article we develop an algorithm for the efficient simulation of electrolytes in the presence of physical boundaries. In previous work the Discrete Ion Stochastic Continuum Overdamped Solvent (DISCOS) algorithm was derived for triply…

A method is proposed to design the time dependence of the trap frequency and achieve in a short time an adiabatic-like (frictionless) evolution of Bose-Einstein condensates governed by the Gross-Pitaevskii equation. Different cases…

In this paper, we investigate the effects of full electronic correlation on the high harmonic generation in the helium atom subjected to laser pulses of extremely high intensity. To do this, we perform real-time propagations of the helium…

Five time-dependent orbital optimized coupled-cluster (TD-ooCC) methods, of which four can converge to the complete active space self-consistent-field method, are presented for fermion-mixtures with arbitrary fermion kinds and numbers.…

This article discusses and explains the Hamiltonian formulation for a class of simple gauge invariant mechanical systems consisting of point masses and idealized rods. The study of these models may be helpful to advanced undergraduate or…

Ensuring the safe and reliable operation of integrated electricity and gas systems (IEGS) requires dynamic energy flow (DEF) simulation tools that achieve high accuracy and computational efficiency. However, the inherent strong nonlinearity…

The finite-temperature effective potential customarily employed to describe the physics of cosmological phase transitions often relies on specific gauge choices, and is manifestly not gauge-invariant at finite order in its perturbative…

Presented is a quantum lattice gas algorithm to efficiently model a system of Dirac particles interacting through an intermediary gauge field. The algorithm uses a fixed qubit array to represent both the spacetime and the particles…

The importance of simulating pinning arrays in superconducting samples for the increase of critical currents has been increasing in the last few years. Since the Time Dependent Ginzburg Landau (TDGL) can be more accurate than alternative…

The rarefied flow and multi-scale flow are crucial for the aerodynamic design of spacecraft, ultra-low orbital vehicles and plumes. By introducing a discrete velocity space, the discrete velocity method (DVM) and unified methods can capture…

We introduce a general differentiable solver for time-dependent deformation problems with contact and friction. Our approach uses a finite element discretization with a high-order time integrator coupled with the recently proposed…

The adiabatic self-consistent collective coordinate (ASCC) method is a practical microscopic theory of large-amplitude collective motions in nuclei with superfluidity. We show that its basic equations are invariant against transformations…

Delta self-consistent-field ($\Delta$SCF) theory is widely used for electronic excitation energy calculations. However, calculating the corresponding oscillator strengths is challenging. The corresponding many-electron wavefunctions are not…