相关论文: Constructing Hubbard Models for the Hydrogen Chain…
We report on recent studies of the spin-half Heisenberg and the Hubbard model on the sawtooth chain. For both models we construct a class of exact eigenstates which are localized due to the frustrating geometry of the lattice for a certain…
We analyse the entanglement structure of states generated by random constant-depth two-dimensional quantum circuits, followed by projective measurements of a subset of sites. By deriving a rigorous lower bound on the average entanglement…
In this work we explore the performance of approximations to electron correlation in reduced density-matrix functional theory (RDMFT) and of approximations to the observables calculated within this theory. Our analysis focuses on the…
We study the spectral function of two-leg Hubbard ladders with the time-dependent density matrix renormalization group method (tDMRG). The high-resolution spectrum displays features of spin-charge separation and a scattering continuum of…
We revisit the ground state of the Hubbard model on 2-legged ladders in this work. We perform DMRG calculation on large system sizes with large kept states and perform extrapolation of DMRG results with truncation errors in the converged…
Machine learning models for the potential energy of multi-atomic systems, such as the deep potential (DP) model, make possible molecular simulations with the accuracy of quantum mechanical density functional theory, at a cost only…
New integrable variant of the one-dimensional Hubbard model with variable-range correlated hopping is studied. The Hamiltonian is constructed by applying the quantum inverse scattering method on the infinite interval at zero density to the…
We investigate the $T=0$ phase diagram of a variant of the one-dimensional extended Hubbard model where particles interact via a finite-range soft-shoulder potential. Using Density Matrix Renormalization Group (DMRG) simulations, we…
A basic model of hydrogen bonds related to $\rm{H}_2\rm{O}$, which is adapted from the Jaynes--Cummings model, is suggested, and its different dynamic features are studied theoretically. In this model, the making and breaking of hydrogen…
The strength of DMRG lies in its treatment of identical sites that are energetically degenerate and spatially similar. However, this becomes a drawback when applied to quantum chemistry calculations for large systems, as entangled orbitals…
We present the Copupled Cluster (CC) method and the Density matrix Renormalization Grooup (DMRG) method in a unified way, from the perspective of recent developments in tensor product approximation. We present an introduction into recently…
We investigate the extended Hubbard model as an approximation to the local and spatial entanglement of a one-dimensional chain of nanostructures where the particles interact via a long range interaction represented by a `soft' Coulomb…
Thin-walled structures clamped by friction joints, such as aircraft skin panels are exposed to bending-stretching coupling and frictional contact. We propose an original sub-structuring approach, where the system is divided into thin-walled…
A novel hybrid scheme is proposed. The {\it ab initio} LDA calculation is used to construct the Wannier functions and obtain single electron and Coulomb parameters of the multiband Hubbard-type model. In strong correlation regime the…
We develop a variational formalism in order to study the structure of low energy spectra of frustrated quantum spin systems. It is first applied to trial wavefunctions of ladders with one spin-1/2 on each site. We determine energy minima of…
We develop Hybrid Monte Carlo (HMC) algorithms for constrained Hamiltonian systems of gauge- Higgs models and introduce a new observable for the constraint effective Higgs potential. We use an extension of the so-called Rattle algorithm to…
We study the one-dimensional Hubbard model with nearest-neighbor and next-nearest-neighbor hopping integrals by using the density-matrix renormalization group (DMRG) method and Hartree-Fock approximation. Based on the calculated results for…
We present a high-accuracy procedure for electronic structure calculations of strongly correlated materials. To address limitations in current electronic structure methods, we employ density functional theory in combination with the…
The all-to-all momentum coupling of the Hubbard interaction makes interacting lattice models generically unsolvable. In many settings, however, from Peierls instabilities to Moir\'e superlattice physics, the low-energy behavior is dominated…
The nonequilibrium Green's functions (NEGF) approach is a versatile theoretical tool, which allows to describe the electronic structure, spectroscopy and dynamics of strongly correlated systems. The applicability of this method is, however,…