相关论文: First multi-reference correlation treatment of bul…
Motivated by the pair-density-wave (PDW) state found in the one-dimensional Kondo-Heisenberg chain, we report on a determinant quantum Monte Carlo DQMC study of pair-fields for a two-dimensional half-filled Hubbard layer coupled to an…
We employ the closed-shell perturbed relativistic coupled-cluster (RCC) theory developed by us earlier [Phys. Rev. A {\bf 77}, 062516 (2008)] to evaluate the ground state static electric dipole polarizabilities (\alpha s) of several atomic…
Based on the numeric solution of a system of coupled channels for vector mesons ($S$- and $D$-waves mixing) and for tensor mesons ($P$- and $F$-waves mixing) mass spectrum and wave functions of a family of vector mesons $q\bar{q}$ in…
Background: Extensions of single-reference (SR) energy-density-functionals (EDFs) to multi-reference (MR) applications involve using the generalized Wick theorem (GWT), which leads to singular energy kernels that cannot be properly…
In this article, we propose a penalized clustering method for large scale data with multiple covariates through a functional data approach. In the proposed method, responses and covariates are linked together through nonparametric…
A diagrammatic multi-reference generalization of many-body perturbation theory was recently introduced [J. Phys. Chem. Lett., 2025, 16, 3047]. This framework allows us to extend single-reference (SR) Green's function methods defined at the…
We use the semiclassical approach combined with the scaling results for the diffusion coefficient to consider the two-level correlation function $R(\varepsilon)$ for a disordered electron system in the crossover region, characterized by the…
The open-shell reference relativistic equation-of-motion coupled-cluster method within its four-component description is successfully implemented with the consideration of single- and double- excitation approximation. The one-body and…
Matching a target spectrum with known spectra in a spectral library is a common method for material identification in hyperspectral imaging research. Hyperspectral spectra exhibit precise absorption features across different wavelength…
A model to describe electronic correlations in energy bands is considered. The model is a generalization of the conventional Hubbard model that allows for the fact that the wavefunction for two electrons occupying the same Wannier orbital…
A general coupled-wave model is presented for square-lattice photonic crystal (PC) lasers with transverse-electric polarization. This model incorporates the high-order coupling effects that are important for two-dimensional PC laser…
The structures, the phase diagrams, and the appearance of a neutron resonance in the superconducting state provide phenomenological evidence which relate the heavy fermion, cuprate and Fe superconductors. Single- and multi-band Hubbard…
Hyperpolarized nuclear magnetic resonance and lab-on-a-chip microfluidics are two dynamic, but until recently quite distinct, fields of research. Recent developments in both areas increased their synergistic overlap. By microfluidic…
Multiconfiguration Hartree-Fock (MCHF) and multiconfiguration Dirac-Hartree-Fock (MCDHF) calculations are performed for the $2p^{5}~^{2}P^{o}$, $2p^4(^{3}P)3s~^{4}P$, $2p^4(^{3}P)3s~^{2}P$ and $2p^4(^{3}P)3p~^{4}S^o$ states of $^{19}$F~I to…
The coupled-cluster method is applied to the spin-1/2 antiferromagnetic XXZ model on a square lattice by employing an approximation which contains two-body long-range correlations and high-order four-body local correlations. Improvement is…
The electronic and magnetic properties of many strongly-correlated systems are controlled by a limited number of states, located near the Fermi level and well isolated from the rest of the spectrum. This opens a formal way for combining the…
We present in detail the recently developed multi-configurational symmetrized projector quantum Monte Carlo (MSPQMC) method for excited states of the Hubbard model. We describe the implementation of the Monte Carlo method for a…
We simulated the 3-band Hubbard model using the Constrained Path Monte Carlo (CPMC) method in search for a possible superconducting ground state. The CPMC is a ground state method which is free of the exponential scaling of computing time…
Methods which aim at universal applicability must be able to describe both weak and strong electronic correlation with equal facility. Such methods are in short supply. The combination of symmetry projection for strong correlation and…
Ab initio methods based on the second-order and higher connected moments, or cumulants, of a reference function have seen limited use in the determination of correlation energies of chemical systems throughout the years. Moment-based…