Related papers: High-Order Coupled Cluster Method (CCM) Calculatio…
Simulations of frustrated quantum antiferromagnets suffer from a severe sign problem. We solve the ergodicity problem of the loop-cluster algorithm in a natural way and apply a powerful strategy to address the sign problem. For the spin 1/2…
We report on the development of two dual worm constructions that lead to cluster algorithms for efficient and ergodic Monte Carlo simulations of frustrated Ising models with arbitrary two-spin interactions that extend up to third-neighbours…
Quantum field theories underlie all of our understanding of the fundamental forces of nature. The are relatively few first principles approaches to the study of quantum field theories [such as quantum chromodynamics (QCD) relevant to the…
The interplay between lattice topology, frustration, and spin quantum number, $s$, is explored for the Heisenberg antiferromagnet (HAFM) on the eleven two-dimensional Archimedean lattices (square, honeycomb, CaVO, SHD, SrCuBO, triangle,…
Spin-1/2 kagome antiferromagnet (AFM) is one of the most studied models in frustrated magnetism since it is a promising candidate to host exotic spin liquid states. However, despite numerous studies using both analytical and numerical…
We propose a method for generating high-fidelity multipartite spin-entanglement of ultracold atoms in an optical lattice in a short operation time with a scalable manner, which is suitable for measurement-based quantum computation. To…
In a recent paper, J. Chem. Phys. 162, 214101 (2025), a novel approach for the rigidification of a molecular cluster was proposed, in which starting with an all-atom (AA) potential, a coarse-grained (CG) potential for the associated cluster…
One of the challenges of high granularity calorimeters, such as that to be built to cover the endcap region in the CMS Phase-2 Upgrade for HL-LHC, is that the large number of channels causes a surge in the computing load when clustering…
The Coupled Cluster (CC) method is used to compute the electronic correlation energy in atoms and molecules and often leads to highly accurate results. However, due to its single-reference nature, standard CC in its projected form fails to…
We present relativistic coupled-cluster (CC) calculations of energies, magnetic-dipole hyperfine constants, and electric-dipole transition amplitudes for low-lying states of atomic boron. The trivalent boron atom is computationally treated…
Despite their simple formulation, short range classical antiferromagnetic Ising models on frustrated lattices give rise to exotic phases of matter, in particular due to their macroscopic ground state degeneracy. Recent experiments on…
In this article, the correlated basis-function (CBF) method is applied for the first time to the quantum spin-half {\it XY} model on the linear chain, the square lattice, and the simple cubic lattice. In this treatment of the quantum…
Using a combination of quantum Monte Carlo simulations in adapted cluster bases, the finite temperature Lanczos method, and an effective Hamiltonian approach, we explore the thermodynamic properties of the spin-1/2 Heisenberg…
We study a frustrated spin-$\frac{1}{2}$ $J_{1}$--$J_{2}$--$J_{3}$--$J_{1}^{\perp}$ Heisenberg antiferromagnet on an $AA$-stacked bilayer honeycomb lattice. In each layer we consider nearest-neighbor (NN), next-nearest-neighbor, and…
The collective tunneling of a small cluster of spins between two degenerate ground state configurations of the Kagom\'{e}-lattice quantum Heisenberg antiferromagnet is \mbox{studied}. The cluster consists of the six spins on a hexagon of…
In this paper, we present a parallel computing method for the coupled-cluster singles and doubles (CCSD) in periodic systems. The CCSD in periodic systems solves simultaneous equations for single-excitation and double-excitation amplitudes.…
A novel atomistic-continuum method (ACM) based on finite element method (FEM) is proposed to numerically simulate the nano-scaled Poisson's ratio and Young's modulus effect of Lithium (Li) body-centered cubic (BCC) structure. The potential…
We propose a relativistic unitary coupled cluster (UCC) expectation value approach for computing first-order properties of heavy-element systems. Both perturbative (UCC3) and non-perturbative (qUCC) commutator-based formulations are applied…
We present experimental quantum computation of the ground-state energy in a 103-site flat Kagome lattice under the antiferromagnetic Heisenberg model (KAFH), with IBM's Heron r1 and Heron r2 quantum processors. For spin-1/2 KAFH, our…
We investigate the ferromagnetic Kondo-lattice model (FKLM) with a correlated conduction band. A moment conserving approach is proposed to determine the electronic self-energy. Mapping the interaction onto an effective Heisenberg model we…