相关论文: Similarity transformation of the electronic Schr\"…

A hyperbolic singularity in the wave-function of $s$-wave interacting atoms is the root problem for any accurate numerical simulation. Here we apply the transcorrelated method, whereby the wave-function singularity is explicitly described…

In this work, we present the first implementation of the transcorrelated electronic Hamiltonian in an optimization procedure for matrix product states by the density matrix renormalization group (DMRG) algorithm. In the transcorrelation…

Transcorrelated coupled cluster and distinguishable cluster methods are presented. The Hamiltonian is similarity transformed with a Jastrow factor in the first quantisation, which results in up to three-body integrals. The coupled cluster…

It has been well established that the Jastrow correlation factor can effectively capture the electron correlation effects, and thus, the efficient optimization of the many-body wave function including the Jastrow correlation factor is of…

We show here that the Hamiltonian for an electronic system may be written exactly in terms of fluctuation operators that transition constituent fragments between internally correlated states, accounting rigorously for inter-fragment…

Quantum simulations of electronic structure with a transformed Hamiltonian that includes some electron correlation effects are demonstrated. The transcorrelated Hamiltonian used in this work is efficiently constructed classically, at…

The congruent transformation of the electronic Hamiltonian is developed to address the electron correlation problem in many-electron systems. The central strategy presented in this method is to perform transformation on the electronic…

We consider quantum systems which interact strongly with a rapidly varying environment and derive a Schrodinger-like equation which describes the time evolution of the average wave function. We show that the corresponding Hamiltonian can be…

We derive an effective Hamiltonian for the nonlinear process of parametric down conversion in the presence of absorption. Based upon the Green function method for quantizing the electromagnetic field, we first set up Heisenberg's equations…

Electronic structure simulation is an anticipated application for quantum computers. Due to high-dimensional quantum entanglement in strongly correlated systems, the quantum resources required to perform such simulations are far beyond the…

In our work we construct a Hamiltonian, whose eigenstates approximate the solutions of the self-consistent Hartree-Fock equations for nonrelativistic atoms and ions. Its eigenvalues are given by completely algebraic expressions and the…

We introduce a family of many-body systems of distinguishable continuous-variable particles in which interparticle interactions are set by the adjacency matrix of a graph. The ground-state wavefunction of such systems is of a generalized…

Computationally efficient and accurate quantum mechanical approximations to solve the many-electron Schr\"odinger equation are at the heart of computational materials science. In that respect the coupled cluster hierarchy of methods plays a…

The quantum mechanical problem of three identical particles, moving in a plane and interacting pairwise via a spring potential, is solved exactly in the presence of a magnetic field. Calculations of the pair--correlation function, mean…

We show that similarity (or equivalent) transformations enable one to construct non-Hermitian operators with real spectrum. In this way we can also prove and generalize the results obtained by other authors by means of a gauge-like…

We study many-body correlations in the ground states of a general quantum system of bosons or fermions by including an additional Jastrow function in our ecently proposed variational coupled-cluster method. Our approach combines the…

We study the problem of the phonon-induced electron-electron interaction in a solid. Starting with a Hamiltonian that contains an electron-phonon interaction, we perform a similarity renormalization transformation to calculate an effective…

The transcorrelated (TC) method performs a similarity transformation on the electronic Schr\"odinger equation via Jastrow factorization of the wave function. This has demonstrated significant advancements in computational electronic…

We propose a Jastrow factor for electron-electron correlations that interpolates between the radial symmetry of the Coulomb interaction at short inter-particle distance and the space-group symmetry of the simulation cell at large…

We in this paper study the hermiticity of Hamiltonian and energy spectrum for the SU(1; 1) systems. The Hermitian Hamiltonian can possess imaginary eigenvalues in contrast with the common belief that hermiticity is a suffcient condition for…