Related papers: Seniority Eigenstate Configuration Interaction
A new method for constructing a Hamiltonian for configuration interaction calculations with constraints to energies of spherical configurations obtained with energy-density-functional (EDF) methods is presented. This results in a unified…
We show how to add the effects of residual electron correlation to a reference seniority-zero wavefunction by making a unitary transformation of the true electronic Hamiltonian into seniority-zero form. The transformation is treated via the…
An interacting lattice model describing the subspace spanned by a set of strongly-correlated bands is rigorously coupled to density functional theory to enable ab initio calculations of geometric and topological material properties. The…
A simple effective model for a description of magnetically ordered insulators is analysed. The tight binding Hamiltonian consists of the effective on-site interaction (U) and intersite magnetic exchange interactions (Jz, Jxy) between…
A hyperbolic singularity in the wave-function of $s$-wave interacting atoms is the root problem for any accurate numerical simulation. Here we apply the transcorrelated method, whereby the wave-function singularity is explicitly described…
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…
In this work we investigate the effect of local dissipation on the presence of density-wave ordering in spinful fermions with both local and nearest-neighbor interactions as described by the extended Hubbard model. We find density-wave…
Eigenvectors of the reduced Bardeen-Cooper-Schrieffer Hamiltonian, Richardson-Gaudin (RG) states, are used as a variational wavefunction Ansatz for strongly-correlated electronic systems. These states are geminal products whose coefficients…
An essential ingredient in many model Hamiltonians, such as the Hubbard model, is the effective electron-electron interaction $U$, which enters as matrix elements in some localized basis. These matrix elements provide the necessary…
Quantum embedding theories are promising approaches to investigate strongly-correlated electronic states of active regions of large-scale molecular or condensed systems. Notable examples are spin defects in semiconductors and insulators. We…
We formulate the concept of dominant interaction Hamiltonians to obtain an integrable approximation to the dynamics of an electron exposed to a strong laser field and an atomic potential leading to high harmonic generation. The concept…
Hierarchy configuration interaction (hCI) has been recently introduced as an alternative configuration interaction (CI) route combining excitation degree and seniority number, which showed to efficiently recover both dynamic and static…
By expressing the electronic wavefunction in an explicitly-correlated (Jastrow-factorised) form, a similarity-transformed effective Hamiltonian can be derived. The effective Hamiltonian is non-Hermitian and contains three-body interactions.…
The method of effective interaction, traditionally used in the framework of an harmonic oscillator basis, is applied to the hyperspherical formalism of few-body nuclei (A=3-6). The separation of the hyperradial part leads to a state…
Motivated by recent neutron and x-ray observations in V$_2$O$_3$, we derive the effective Hamiltonian in the strong coupling limit of an Hubbard model with three degenerate t_{2g} states containing two electrons coupled to spin S = 1, and…
Quantum algorithms require accurate representations of electronic states on a quantum device, yet the approximation of electronic wave functions for strongly correlated systems remains a profound theoretical challenge, with existing methods…
We present rigorous results for several variants of the Hubbard model in the strong-coupling regime. We establish a mathematically controlled perturbation expansion which shows how previously proposed effective interactions are, in fact,…
Using finite basis sets, it is shown how to construct a local Hamiltonian, such that one of its infinitely many degenerate eigenfunctions is the ground state full configuration interaction (FCI) wave function in that basis set. Formally,…
Richardson-Gaudin (RG) states are employed as a variational wavefunction ansatz for strongly correlated isomers of H$_4$ and H$_{10}$. In each case a single RG state describes the seniority-zero sector quite well. Simple natural orbital…
We propose a platform for engineering helical fermions in a hybridized double-quantum-wire setup. When our setup is proximity coupled to an $s$-wave superconductor it can become a class $D$ topological superconductor exhibiting Majorana…