Related papers: Shifted COCG method and its application to double …
The second-order reduced density matrix method (the RDM method) has performed well in determining energies and properties of atomic and molecular systems, achieving coupled-cluster singles and doubles with perturbative triples (CC SD(T))…
An iterative version of the qubit coupled cluster (QCC) method [I.G. Ryabinkin et al., J. Chem. Theory Comput. 14, 6317 (2019)] is proposed. The new method seeks to find ground electronic energies of molecules on noisy intermediate-scale…
We study a system of electrons on a one-dimensional lattice, interacting through the long range Coulomb forces, by means of a variational technique which is the strong coupling analog of the Gutzwiller approach. The problem is thus the…
The strong-coupling perturbation theory of the Hubbard model is presented and carried out to order (t/U)^5 for the one-particle Green function in arbitrary dimension. The spectral weight A(k,omega) is expressed as a Jacobi continued…
We present a numerically stable Quantum Monte Carlo algorithm to calculate zero-temperature imaginary-time Green functions $ G(\vec{r}, \tau) $ for Hubbard type models. We illustrate the efficiency of the algorithm by calculating the…
The Coulomb gauge model, involving an effective QCD Hamiltonian in the Coulomb gauge, is applied to scalar hadrons. Mass predictions are presented for both conventional q-qbar meson and q-qbar-q-qbar tetra-quark states. Mixing matrix…
Traditional computational methods for studying quantum many-body systems are "forward methods," which take quantum models, i.e., Hamiltonians, as input and produce ground states as output. However, such forward methods often limit one's…
The one-electron density of states for the half-filled Hubbard model on a triangular lattice is studied as a function of both temperature and Hubbard U using Quantum Monte Carlo. We find three regimes: (1) a strong-coupling Mott-Hubbard…
We present an algorithm to compute Green's functions on quantum computers for interacting electron systems, which is a challenging task on conventional computers. It uses a continued fraction representation based on the Lanczos method,…
Linear scaling quantum chemical methods for Density Functional Theory are extended to the condensed phase at the $\Gamma$-point. For the two-electron Coulomb matrix, this is achieved with a tree-code algorithm for fast Coulomb summation [J.…
Computing many-body ground state energies and resolving electronic structure calculations are fundamental problems for fields such as quantum chemistry or condensed matter. Several quantum computing algorithms that address these problems…
We have recently presented the multichannel Dyson equation as an alternative to the standard single-channel Dyson equation. While the latter involves a single many-body Green's function, the former uses a multichannel Green's function in…
We present a real-time second-order Green's function (GF) method for computing excited states in molecules and nanostructures, with a computational scaling of $O(N_{\rm e}^3$), where $N_{\rm e}$ is the number of electrons. The cubic scaling…
In this paper, we develop a framework to construct energy-preserving methods for multi-components Hamiltonian systems, combining the exponential integrator and the partitioned averaged vector field method. This leads to numerical schemes…
With a super-high-efficient numerical algorithm, we are able to self-consistently calculate the Green's function in the renormalized-ring-diagram approximation for a two-dimensional electron system with long-range Coulomb interactions. The…
By using the density matrix renormalization group method, we investigate ground- and excited-state properties of the e_g-orbital degenerate Hubbard model at quarter filling for two kinds of lattices, zigzag chain and ladder. In the zigzag…
The four-site Hubbard model is considered from the exact diagonalisation and variational method points of view. It is shown that the exact ground-state can be recovered by a symmetry projected Slater determinant, irrespective of the…
The Hubbard model has occupied the minds of condensed matter physicists for most part of the last century. This model provides insight into a range of phenomena in correlated electron systems. We wish to examine the paradigm of quantum…
The Hubbard model is implemented in real-space Green's function calculations of x-ray spectra using an effective self-energy adapted from the LSDA+U method of Anisimov et al. This self-energy consists of an energy-dependent many-pole…
A generalization of Faddeev's approach of the 3-body problem to the many-body problem leads to the method of increments. This method was recently applied to account for the ground state properties of Hubbard-Peierls chains (JETP Letters 67…