相关论文: Influence of broken-pair excitations on the exact …
We report on the findings of a blind challenge devoted to determining the frozen-core, full configuration interaction (FCI) ground state energy of the benzene molecule in a standard correlation-consistent basis set of double-$\zeta$…
We study a few Fermi atoms interacting through attractive contact forces in a one-dimensional trap by means of numerical exact diagonalization. From the combined analysis of energies and wave functions of correlated ground and excited…
We investigate the influence of density, interaction and harmonic confinement on the superfluid to insulator transition (SIT) in disordered fermionic superfluids described by the one-dimensional Hubbard model. We quantify the ground-state…
Confined geometries such as semiconductor quantum dots are promising candidates for fabricating quantum computing devices. When several quantum dots are in proximity, spatial correlation between electrons in the system becomes significant.…
We present unrestricted Hartree Fock method coupled with configuration interaction (CI) method (URHF-CI) suitable for the calculation of ground and excited states of large number of electrons localized by complex gate potentials in…
One-dimensional multi-component Fermi or Bose systems with strong zero-range interactions can be described in terms of local exchange coefficients and mapping the problem into a spin model is thus possible. For arbitrary external confining…
The correction of the self-interaction error (SIE) that is inherent to all standard density functional theory (DFT) calculations is an object of increasing interest. In this article we apply the very recently developed Fermi-orbital based…
We consider the Fibonacci Hamiltonian, the central model in the study of electronic properties of one-dimensional quasicrystals, and provide a detailed description of its spectrum and spectral characteristics (namely, the optimal H\"older…
We investigate the Josephson effect through a two-level quantum dot with an exchange coupling between two dot electrons. We compute the superconducting phase relationship and construct the phase diagram in the superconducting gap--exchange…
We introduce a novel class of coupled cluster (CC) methods that leverage the seniority concept to enhance efficiency and accuracy in electronic structure calculations. While existing approaches, such as the pair coupled cluster doubles…
We study the quantum dynamics of a strongly correlated electron pair in a one-dimensional lattice, focusing on the occurrence of local dissociation/pairing mechanisms induced by a site energy defect. To this end, we simulate the time…
The realization of interacting topological states of matter such as fractional Chern insulators (FCIs) in cold atom systems has recently come within experimental reach due to the engineering of optical lattices with synthetic gauge fields…
The Projected Configuration Interaction (PCI) method starts from a collection of mean-field wave functions, and builds up correlated wave functions of good symmetry. It relies on the Generator Coordinator Method (GCM) techniques, but it…
Inspired by our earlier semi-stochastic work aimed at converging high-level coupled-cluster (CC) energetics [J. E. Deustua, J. Shen, and P. Piecuch, Phys. Rev. Lett. 119, 223003 (2017); J. Chem. Phys. 154, 124103 (2021)], we propose a novel…
Noncollinear (NC) magnetism and spin-orbit coupling (SOC) are indispensable for predictive ab initio materials simulations with pronounced relativistic effects and magnetic frustration, yet they significantly increase the cost of…
We investigate the exact solution of BCS pairing model using direct diagonalization of Fock space. By the data analysis and numerical calculation, we verify the symmetry between energy spectrum of Fock subspaces, obtain the common structure…
Earlier work [arXiv:1206.2407,arXiv:2206.06085] have shown the band insulator (BI) to superfluid (SF) phase transition in the half-filled bilayer attractive Hubbard model. In this paper we append the effects of random on-site disorder on…
We introduce a novel approach for computing the twist operator correlators (TOC) in two-dimensional conformal field theories (2d CFT) and the closely related isomonodromic tau functions. The method stems from the formal path integral…
Similarity transformation of the Hubbard Hamiltonian using a Gutzwiller correlator leads to a non-Hermitian effective Hamiltonian, which can be expressed exactly in momentum-space representation, and contains three-body interactions. We…
Continuous spectrum operators (CSOs), characterized by spectra comprising continuous intervals rather than discrete eigenvalues, are pivotal in quantum mechanics, wave propagation, and systems governed by partial differential equations.…