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

We study the different ways of introducing light-matter interaction in first-principle tight-binding (TB) models. The standard way of describing optical properties is the velocity gauge, defined by linear coupling to the vector potential.…

The variational method of coupled Gaussian functions is applied to Bose-Einstein condensates with long-range interactions. The time-dependence of the condensate is described by dynamical equations for the variational parameters. We present…

For quantum mechanics of a charged particle in a classical external electromagnetic field, there is an apparent puzzle that the matrix element of the canonical momentum and Hamiltonian operators is gauge dependent. A resolution to this…

We present a novel theoretical scheme for orbital relaxation in configuration interaction singles (CIS) based on a perturbative treatment of its electronic Hessian, whose analytical derivation is also established in this work. The proposed…

We review time-dependent multiconfiguration self-consistent-field (TD-MCSCF) method and time-dependent optimized coupled-cluster (TD-OCC) method for first-principles simulations of high-field phenomena such as tunneling ionization and…

The generalized time-dependent generator coordinate method (TD-GCM) is extended to include pairing correlations. The correlated GCM nuclear wave function is expressed in terms of time-dependent generator states and weight functions. The…

We study time uncertainty-aware modeling of continuous-time dynamics of interacting objects. We introduce a new model that decomposes independent dynamics of single objects accurately from their interactions. By employing latent Gaussian…

By using stochastic ensembles of walkers in physical and in one-body Hilbert spaces the recently proposed time-dependent quantum Monte Carlo (TDQMC) method offers the unique capability to calculate one-body density matrices at fully…

The Thomas--Reiche--Kuhn sum rule is used to form an effective potential that is added to the time-dependent configuration interaction singles (TDCIS) equations of motion in velocity gauge. The purpose of the effective potential is to…

An implementation of the generalized time-dependent generator coordinated method (TD-GCM) is developed, that can be applied to the dynamics of small- and large-amplitude collective motion of atomic nuclei. Both the generator states and…

The present tutorial provides an overview of the time-dependent configuration interaction singles (\acs{TDCIS}) scheme applied to nonlinear ionization over a broad photon-energy range. The efficient propagation of the wave function and the…

We report the formulation of a new, cost-effective approximation method in the time-dependent optimized coupled-cluster (TD-OCC) framework [T. Sato et al., J. Chem. Phys. 148, 051101 (2018)] for first-principles simulations of multielectron…

This paper proposes a new non-iterative time-domain simulation approach using Differential Transform Method (DTM) to solve the set of non-linear Differential-Algebraic Equations (DAEs) involved in a DFIG-based wind power system. The DTM is…

The gauging of equations method, introduced in the preceding paper, is applied to the four-dimensional integral equations describing the strong interactions of three identical relativistic particles. In this way we obtain gauge invariant…

We present a $GW$ space-time algorithm for periodic systems in a Gaussian basis including spin-orbit coupling. We employ lattice summation to compute the irreducible density response and the self-energy, while we employ $k$-point sampling…

This paper explores a mathematical technique for deriving dynamical invariants (i.e. constants of motion) in time-dependent gravitational potentials. The method relies on the construction of a canonical transformation that removes the…

Time-independent gauge transformations are implemented in the canonical formalism by the Gauss law which is not covariant. The covariant form of Gauss law is conceptually important for studying asymptotic properties of the gauge fields. For…

Thermal and other transport coefficients were recently shown to be largely independent of the microscopic representation of the energy (current) densities or, more generally, of the relevant conserved densities/currents. In this paper we…

Using the extended ADM-phase space formulation in the canonical framework we analyze the relationship between various gauge choices made in cosmological perturbation theory and the choice of geometrical clocks in the relational formalism.…

Ultrafast real-time dynamics are critical for understanding a broad range of physical processes. Real-time time-dependent density functional theory (rt-TDDFT) has emerged as a powerful computational tool for simulating these dynamics,…