相关论文: Efficient method for simulating quantum electron d…

Using the Wei-Norman theory we obtain a time-dependent complex Riccati equation (TDCRE) as the solution of the time evolution operator (TEO) of quantum systems described by time-dependent (TD) Hamiltonians that are linear combinations of…

It is well-known that time-dependent Schr\"{o}dinger equation can only be exactly solvable in very rare cases, even for two-level quantum systems. Therefore, finding exact quantum dynamics under time-dependent Hamiltonian is not only of…

We propose a multi-particle self-consistent Hamiltonian (derived from an N-body description) that is applicable for periodic structures such as traveling-wave tubes (TWTs), gyrotrons, free-electron lasers, or particle accelerators. We build…

By introducing a set of auxiliary equations representing a many-body system, we have derived an extension of the Kohn-Sham scheme for the density functional theory. These equations consist of a Kohn-Sham-type equation determining…

Quantum computers have long been expected to efficiently solve complex classical differential equations. Most digital, fault-tolerant approaches use Carleman linearization to map nonlinear systems to linear ones and then apply quantum…

In this paper, time-independent Hamiltonian systems are investigated via a Lie-group/algebra formalism. The (unknown) solution linked with the Hamiltonian is considered to be a Lie-group transformation of the initial data, where the group…

Here we present an strategy for the derivation of a time-dependent Dyson map which ensures simultaneously the unitarity of the time evolution and the observability of a quasi-Hermitian Hamiltonian. The time-dependent Dyson map is derived…

Effective Hamiltonians governing the time evolution in a subspace of unstable states can be found using more or less accurate approximations. A convenient tool for deriving them is the evolution equation for a subspace of state space…

We consider the extension of the standard single-determinant Kohn-Sham method to the case of a multiconfiguration trial wavefunction. By applying the rigorous Kohn-Sham method to this case, we construct the proper interacting and…

We study the Kohn-Sham scheme for the calculation of the steady state linear response to a harmonic perturbation that is turned on adiabatically. Although in general the exact time dependent exchange-correlation potential cannot be…

We present an efficient quantum algorithm for simulating the evolution of a sparse Hamiltonian H for a given time t in terms of a procedure for computing the matrix entries of H. In particular, when H acts on n qubits, has at most a…

We consider the task of simulating time evolution under a Hamiltonian $H$ within its low-energy subspace. Assuming access to a block-encoding of $H'=(H-E)/\lambda$ for some $E \in \mathbb R$, the goal is to implement an…

In this work, we present a new diagrammatic method for computing the effective Hamiltonian of driven nonlinear oscillators. At the heart of our method is a self-consistent perturbation expansion developed in phase space, which establishes a…

Predictivity of the Kohn-Sham approach to dynamical problems, when regarded as an initial value problem in a time-dependent density functional framework, is analysed for a class of models for which the argument devised in the work of Maitra…

Digital quantum simulation relies on Trotterization to discretize time evolution into elementary quantum gates. On current quantum processors with notable gate imperfections, there is a critical tradeoff between improved accuracy for finer…

Simulating physical systems has been an important application of classical and quantum computers. In this article we present an efficient classical algorithm for simulating time-dependent quantum mechanical Hamiltonians over constant…

The density functional theory (DFT) is a remarkably successful theory of electronic structure of matter. At the foundation of this theory lies the Kohn-Sham (KS) equation. In this paper, we describe the long-time behaviour of the…

Using operator ordering techniques based on BCH-like relations of the su(1,1) Lie algebra and a time-splitting approach,we present an alternative method of solving the dynamics of a time-dependent quantum harmonic oscillator for any initial…

The real-time-propagation formulation of time-dependent density-functional theory (RT-TDDFT) is an efficient method for modeling the optical response of molecules and nanoparticles. Compared to the widely adopted linear-response TDDFT…

Simulating time evolution of quantum systems is one of the most promising applications of quantum computing and also appears as a subroutine in many applications such as Green's function methods. In the current era of NISQ machines we…