相关论文: The multi-configurational time-dependent Hartree a…

Nonequilibrium dynamical mean-field theory (DMFT) solves correlated lattice models by obtaining their local correlation functions from an effective model consisting of a single impurity in a self-consistently determined bath. The recently…

In this paper, based on the weak form of the Hamiltonian formulation of the regularized long-wave equation and a novel approach of transforming the original Hamiltonian energy into a quadratic functional, a fully implicit and three…

The Schr\"odinger eigenvalue problem is solved with the imaginary time propagation technique. The separability of the Hamiltonian makes the problem suitable for the application of splitting methods. High order fractional time steps of order…

Multichannel quantum defect theory (MQDT) has been widely applied to resonant and non-resonant scattering in a variety of atomic collision processes. In recent years, the method has been applied to cold collisions with considerable success,…

We compare exponential-type integrators for the numerical time-propagation of the equations of motion arising in the multi-configuration time-dependent Hartree-Fock method for the approximation of the high-dimensional multi-particle…

We present the implementation of a three-dimensional, second order accurate Godunov-type algorithm for magneto-hydrodynamic (MHD), in the adaptive-mesh-refinement (AMR) cosmological code {\tt CHARM}. The algorithm is based on the full…

Our work is about energy conserving fourth-order time discretizations of a three-field formulation of Maxwell's equations in conjunction with a spatial discretization using higher-order and compatible de Rham finite element spaces. Toward…

In the present work, we consider multi-scale computation and convergence for nonlinear time-dependent thermo-mechanical equations of inhomogeneous shells possessing temperature-dependent material properties and orthogonal periodic…

Lattice gas and lattice Boltzmann methods are recently developed numerical schemes for simulating a variety of physical systems. In this paper a new lattice Boltzmann model for modeling two-dimensional incompressible magnetohydrodynamics…

We present a new approach to numerically model continuum radiative transfer based on the Optically Thin Variable Eddington Tensor (OTVET) approximation. Our method insures the exact conservation of the photon number and flux (in the…

Hybrid density functional theory (DFT) remains intractable for large periodic systems due to the demanding computational cost of exact exchange. We apply the tensor hypercontraction (THC) (or interpolative separable density fitting)…

HII regions powered by ionizing radiation from massive stars drive the dynamical evolution of the interstellar medium. Fast radiative transfer methods for incorporating photoionization effects are thus essential in astrophysical…

We review and further develop the recently introduced numerical approach for scattering calculations based on a so called pseudo-time Schroedinger equation, which is in turn a modification of the damped Chebyshev polynomial expansion…

Interacting many-body quantum systems show a rich array of physical phenomena and dynamical properties, but are notoriously difficult to study: they are challenging analytically and exponentially difficult to simulate on classical…

Multichannel Quantum Defect Theory (MQDT) is shown to be capable of producing quantitatively accurate results for low-energy atom-molecule scattering calculations. With a suitable choice of reference potential and short-range matching…

Minimally entangled typical thermal states (METTS) are a construction that allows one to to solve for the imaginary time evolution of quantum many body systems. By using wave functions that are weakly entangled, one can take advantage of…

The complexity of the standard hierarchy of quantum chemistry methods is not invariant to the choice of representation. This work explores how the scaling of common quantum chemistry methods can be reduced using real-space, momentum-space,…

A novel algorithm based on the optimized decimation of tensor networks with super-orthogonalization (ODTNS) that can be applied to simulate efficiently and accurately not only the thermodynamic but also the ground state properties of…

Exact space-time propagator for the wave (second-order in time) equation in a layered system, made up of a layer sandwiched between two other different semi-infinite layers, is obtained by means of the multiple scattering theory (MST)…

We have implemented non-ideal Magneto-Hydrodynamics (MHD) effects in the Adaptive Mesh Refinement (AMR) code RAMSES, namely ambipolar diffusion and Ohmic dissipation, as additional source terms in the ideal MHD equations. We describe in…