Related papers: Improved energy extrapolation with infinite projec…
We investigate the endofullerene system $^3$He@C$_{60}$ with a four-dimensional Potential Energy Surface (PES) to include the three He translational degrees of freedom and C$_{60}$ cage radius. We compare MP2, SCS-MP2, SOS-MP2, RPA@PBE and…
The doped Hubbard model is one of the paradigmatic platforms to engineer exotic quantum many-body states, including charge-ordered states, strange metals and unconventional superconductors. While undoped and doped correlated phases have…
The combination of a recently proposed linear interpolation method (LIM) [Senjean et al., Phys. Rev. A 92, 012518 (2015)], which enables the calculation of weight-independent excitation energies in range-separated ensemble…
We propose an extrapolation technique that allows accuracy improvement of the discrete dipole approximation computations. The performance of this technique was studied empirically based on extensive simulations for 5 test cases using many…
Projected entangled-pair states (PEPS) have proven effective in capturing chiral spin liquid ground states, yet the presence of long-range ``gossamer'' correlation tails raises concerns about their ability to accurately describe bulk gaps.…
Determination and characterization of criticality in two-dimensional (2D) quantum many-body systems belong to the most important challenges and problems of quantum physics. In this paper we propose an efficient scheme to solve this problem…
Using dynamic cluster quantum Monte Carlo simulations, we study the superconducting behavior of a 1/8 doped two-dimensional Hubbard model with imposed uni-directional stripe-like charge density wave modulation. We find a significant…
Dynamic cluster Monte Carlo calculations for the doped two-dimensional Hubbard model are used to study the irreducible particle-particle vertex responsible for $d_{x^2-y^2}$ pairing in this model. This vertex increases with increasing…
In reaction path optimization, such as the calculation of a minimum energy path (MEP) between given reactant and product configurations of atoms, it is advantageous to start with an initial guess where close proximity of atoms is avoided…
We consider the problem of extrapolating the perturbation series for the dilute Fermi gas in three dimensions to the unitary limit of infinite scattering length and into the BEC region, using the available strong-coupling information to…
Tensor networks are a powerful tool to simulate a variety of different physical models, including those that suffer from the sign problem in Monte Carlo simulations. The Hubbard model on the honeycomb lattice with non-zero chemical…
Variational studies of the t-J model on the square lattice based on infinite projected-entangled pair states (iPEPS) confirm an extremely close competition between a uniform d-wave superconducting state and different stripe states. The…
The Targeted Free Energy Perturbation (TFEP) method aims to overcome the time-consuming and computer-intensive stratification process of standard methods for estimating the free energy difference between two states. To achieve this, TFEP…
Dynamical response functions are fundamental quantities to describe the excited-state properties in quantum many-body systems. Quantum algorithms have been proposed to evaluate these quantities by means of quantum phase estimation (QPE),…
Two-dimensional topological insulator features time-reversal-invariant spin-momentum-locked one-dimensional (1D) edge states with a linear energy dispersion. However, experimental access to 1D edge states is still of great challenge and…
For a bipartite state with equal local dimension d, we prove that one can obtain work gain under Landauer's erasure process on one party in identically and independently distributed (iid) limit when the corresponding fully entangled…
This work introduces SpinGlassPEPS$.$jl, a software package implemented in Julia, designed to find low-energy configurations of generalized Potts models, including Ising and QUBO problems, utilizing heuristic tensor network contraction…
We study a class of exactly solvable models for strongly correlated electrons, defined on a set of N cells, and with infinite on-site repulsion on part of the sites of each cell. For 2N or more electrons the exact ground state is known. We…
An extrapolation method in shell model calculations with deformed basis is presented, which uses a scaling property of energy and energy variance for a series of systematically approximated wave functions to the true one. Such approximated…
We study the electron-energy loss spectra of strongly correlated electronic systems doped away from half-filling using dynamical mean-field theory ($d=\infty$). The formalism can be used to study the loss spectra in the optical (${\bf…