相关论文: Gauge-invariant formulation of time-dependent conf…
The evolution of a quantum lattice gas automaton (LGA) for a single charged particle is invariant under multiplication of the wave function by a global phase. Requiring invariance under the corresponding local gauge transformations…
We present a simple and efficient method to incorporate anharmonic effects in the vibrational \textcolor{black}{analyses} of molecules within density functional theory (DFT) calculations. This approach is closely related to the traditional…
Bicircular twisted Laguerre-Gaussian beams possess a definite torus knot angular momentum (TKAM) as a new form of angular momentum. TKAM is conserved in nonlinear atomic processes such as high harmonic generation and can be classified by a…
We describe the time-dependent restricted-active-space self-consistent-field (TD-RASSCF) method for a system of interacting bosons. We provide the theory of the method and discuss its numerical implementation. The method provides a general…
Designing compact and accurate circuits for the variational quantum eigensolver (VQE) is a central challenge in near-term quantum chemistry. Existing adaptive methods such as ADAPT-VQE design circuits by iteratively selecting operators from…
The discrete unified gas kinetic scheme (DUGKS) is a new finite volume (FV) scheme for continuum and rarefied flows which combines the benefits of both Lattice Boltzmann Method (LBM) and unified gas kinetic scheme (UGKS). By reconstruction…
Identification of parameters in ordinary differential equations (ODEs) is an important and challenging task when modeling dynamic systems in biomedical research and other scientific areas, especially with the presence of time-varying…
We discuss the two-center, time-dependent Dirac equation describing the dynamics of an electron during a peripheral, relativistic heavy-ion collision at extreme energies. We derive a factored form, which is exact in the high-energy limit,…
We introduce a scalable variational method for simulating the dynamics of interacting open quantum bosonic systems deep in the quantum regime. The method is based on a multi-dimensional Wigner phase-space representation and employs a…
Lattice gauge theories are fundamental to such distinct fields as particle physics, condensed matter, and quantum information science. Their local symmetries enforce the charge conservation observed in the laws of physics. Impressive…
The performance of time-independent, orbital optimized calculations of excited states is assessed with respect to charge transfer excitations in organic molecules in comparison to the linear-response time-dependent density functional theory…
The energy-based dual-phase dynamics identification (EDDI) method is a new data-driven technique for the discovery of equations of motion (EOMs) of strongly nonlinear single-degree-of-freedom (SDOF) oscillators. This research uses the EDDI…
Discrete unified gas-kinetic scheme (DUGKS) is a multi-scale numerical method for flows from continuum limit to free molecular limit, and is especially suitable for the simulation of multi-scale flows, benefiting from its multi-scale…
We have developed an efficient scheme for the calculation of transition properties within the four-component relativistic equation-of-motion coupled-cluster (EOM-CC) method using the expectation value approach. The calculation of transition…
We present a generalized velocity gauge form of the relativistic laser-matter interaction. In comparison with the (equivalent) regular minimal coupling description, this new form of the light-matter interaction results in superior…
The relational formalism based on geometrical clocks and Dirac observables in linearized canonical cosmological perturbation theory is used to introduce an efficient method to find evolution equations for gauge invariant variables. Our…
In this paper we suggest a method to observe remote interactions of spatially separated dipolar quantum fluids, and in particular of dipolar excitons in GaAs bilayer based devices. The method utilizes the static electric dipole moment of…
An implicit multiscale method with multiple macroscopic prediction for steady state solutions of gas flow in all flow regimes is presented. The method is based on the finite volume discrete velocity method (DVM) framework. At the cell…
An algorithmic approach towards the formulation of non-relativistic diffeomorphism invariance has been developed which involves both matter and gauge fields. A step by step procedure has been provided which can accommodate all types of…
The calculation of the interaction energy in pure QED and Maxwell-Chern-Simons gauge theory is re-examined by exploiting the path dependence of the gauge-invariant variables formalism. In particular, we consider a spacelike straight line…