相关论文: Efficient method for simulating quantum electron d…
We show that the time evolution of the wave function of a quantum mechanical many particle system can be implemented very efficiently on a quantum computer. The computational cost of such a simulation is comparable to the cost of a…
The difficulty of simulating quantum dynamics depends on the norm of the Hamiltonian. When the Hamiltonian varies with time, the simulation complexity should only depend on this quantity instantaneously. We develop quantum simulation…
Linear dissipative differential equation is a fundamental model for a large number of physical systems, such as quantum dynamics with non-Hermitian Hamiltonian, open quantum system dynamics, diffusion process and damped system. In this…
We derive the general Kubo formula in a form that solely utilizes the time evolution of displacement operators. The derivation is based on the decomposition of the linear response function into its time symmetric and time anti-symmetric…
We propose a first-principles time-dependent density functional theoretical (TDDFT) approach in momentum (P) space for quantitative study of electron transport in molecular devices under arbitrary biases. In this approach, the basic…
The simulation of the time-dependent evolution of the resonant tunneling diode is done by a multiscale algorithm exploiting the existence of resonant states. After revisiting and improving the algorithm developed in [N. Ben Abdallah, O.…
This study explores the time-dependent Dunkl-Pauli oscillator in two dimensions. We constructed the Dunkl-Pauli Hamiltonian, which incorporates a time-varying magnetic field and a harmonic oscillator characterized by time-dependent mass and…
In order to model realistic quantum devices it is necessary to simulate quantum systems strongly coupled to their environment. To date, most understanding of open quantum systems is restricted either to weak system-bath couplings, or to…
We discuss a method to follow step-by-step time evolution of atomic and molecular systems based on QED (Quantum Electrodynamics). Our strategy includes expanding the electron field operator by localized wavepackets to define creation and…
We resolve a fundamental issue associated with the conventional Kohn-Sham formulation of real-time time-dependent density functional theory. We show that unphysical multielectron excitations, generated during time propagation of the…
By introducing the self-energy density functionals for the dissipative interactions between the reduced system and its environment, we develop a time-dependent density-functional theory formalism based on an equation of motion for the…
We propose an unconditionally energy-stable, orthonormality-preserving, component-wise splitting iterative scheme for the Kohn-Sham gradient flow based model in the electronic structure calculation. We first study the scheme discretized in…
On the basis of the closed-time path formalism of non-equilibrium quantum field theory, we derive the real-time quantum dynamics of heavy quark systems. Even though our primary goal is the description of heavy quarkonia, our method allows a…
The evolution problem for a quantum particle confined in a 1D box and interacting with one fixed point through a time dependent point interaction is considered. Under suitable assumptions of regularity for the time profile of the…
We perform a numerical free evolution of a selfgravitating, spherically symmetric scalar field satisfying the wave equation. The evolution equations can be written in a very simple form and are symmetric hyperbolic in Eddington-Finkelstein…
This paper presents a new technique to calculate the evolution of a quantum wavefunction in a chosen spatial basis by minimizing the accumulated action. Introduction of a finite temporal basis reduces the problem to a set of linear…
Many application models in quantum physics and chemistry require to control multi-electron systems to achieve a desired target configuration. This challenging task appears possible in the framework of time-dependent density functional…
To simulate plasma phenomena, large-scale computational resources have been employed in developing high-precision and high-resolution plasma simulations. One of the main obstacles in plasma simulations is the requirement of computational…
The gas of the interacted electrons is usually described within Kohn-Sham approximation by the set of Poisson and Schr\"{o}dinger equations with an effective potential for the single-particle wave functions. The solution of these equations…
Accurately treating electron correlation in the wavefunction is a key challenge for both classical and quantum computational chemistry. Classical methods have been developed which explicitly account for this correlation by incorporating…