Related papers: High-Order Coupled Cluster Method (CCM) Calculatio…
We use the coupled cluster method (CCM) to study the zero-temperature phase diagram of a 2D frustrated spin-half antiferromagnet, the so-called Union Jack model. It is defined on a square lattice such that all nearest-neighbor bonds are…
Nearest-neighbor Heisenberg antiferromagnet on a face-centered cubic lattice is studied by extensive Monte Carlo simulations in zero magnetic field. The parallel tempering algorithm is utilized, which allows to overcome a slow relaxation of…
We use the coupled cluster method to high orders of approximation in order to calculate the ground-state phase diagram of the XXZ spin-$s$ kagome antiferromagnet with easy-plane anisotropy, i.e. the anisotropy parameter $\Delta$ varies…
Coupled cluster calculations are traditionally performed over Hartree-Fock reference orbitals (HF-CC methodology). However, it has been repeatedly argued in the literature that the use of a Kohn-Sham reference (KS-CC methodology) might…
Concurrent multiscale methods play an important role in modeling and simulating materials with defects, aiming to achieve the balance between accuracy and efficiency. Atomistic-to-continuum (a/c) coupling methods, a typical class of…
This study introduces a systematic approach for analyzing strongly correlated systems by adapting the conventional quantum cluster method to a quantum circuit model. We have developed a more concise formula for calculating the cluster's…
By using the coupled cluster method (CCM) and the numerical exact diagonalization (ED) method, we investigated the properties of the one quasi-one-dimensional coupled spin triangles. The results of ED disclose that the system is in the…
We use the coupled cluster method to study the zero-temperature properties of an extended two-dimensional Heisenberg antiferromagnet formed from spin-1/2 moments on an infinite spatially anisotropic kagome lattice of corner-sharing…
The spin-half XXZ model on the linear chain and the square lattice are examined with the extended coupled cluster method (ECCM) of quantum many-body theory. We are able to describe both the Ising-Heisenberg phase and the XY-Heisenberg…
We have studied the Heisenberg antiferromagnets on two-dimensional frustrated lattices, triangular and kagome lattices using linear spin-wave theory. A collinear ground state ordering is possible if one of the three bonds in each triangular…
An electrodynamical coupled cluster (CC) methodology starting from a covariant formalism and an equal time approximation, and finally based on the Dirac-Fock picture of the electron and positron fields and Coulomb gauge, is given here. The…
Quantum magnets on kagome lattice geometries in two and three spatial dimensions are archetypal examples of spin systems in which geometric frustration inhibits conventional magnetic ordering and instead benefits the emergence of long-range…
We consider the zero-temperature properties of the spin-half two-dimensional Shastry-Sutherland antiferromagnet by using a high-order coupled cluster method (CCM) treatment. We find that this model demonstrates various groundstate phases…
We use the coupled cluster method to study the zero-temperature quantum phase diagram of the spin-$\frac{1}{2}$ $J_{1}$--$J_{2}$--$J_{1}^{\perp}$ model on the honeycomb bilayer lattice. In each layer we include both nearest-neighbor and…
We have studied electron correlations in the doped two-dimensional (2D) Hubbard model by using the coupled-cluster method (CCM) to investigate whether or not the method can be applied to correct the independent particle approximations…
The spin-1/2 quantum antiferromagnet on the Kagome lattice provides a quintessential example in the strongly correlated electron physics where both effects of geometric frustration and quantum fluctuation are pushed to their limit. Among…
We report results from spin trimer-based cluster quantum Monte Carlo simulations for the thermodynamic properties of two-dimensional frustrated quantum antiferromagnets that are composed of weakly-coupled three-spin (trimer) clusters. In…
The generator coordinate method (GCM) casts the wavefunction as an integral over a weighted set of non-orthogonal single determinantal states. In principle this representation can be used like the configuration interaction (CI) or shell…
In this tutorial-style review we discuss basic concepts of coupled cluster theory and recent developments that increase its computational efficiency for calculations of molecules, solids and materials in general. We will touch upon the…
We propose to improve the convergence properties of the single-reference coupled cluster (CC) method through an augmented Lagrangian formalism. The conventional CC method changes a linear high-dimensional eigenvalue problem with exponential…