Related papers: Fully Symmetrized VB Based Technique for Solving E…
We study the simple Hamiltonian, $H=-K(S_{1z}^2 +S_{2z}^2)+ \lambda\vec S_1\cdot\vec S_2$, of two, large, coupled spins which are taken equal, each of total spin $s$ with $\lambda$ the exchange coupling constant. The exact ground state of…
Determining ground state energies of quantum systems by hybrid classical/quantum methods has emerged as a promising candidate application for near-term quantum computational resources. Short of large-scale fault-tolerant quantum computers,…
We propose a scheme to engineer an effective spin Hamiltonian starting from a system of electrons confined in micro-Penning traps. By means of appropriate sequences of electromagnetic pulses, alternated to periods of free evolution, we…
Noncollinear magnetic states in clusters are studied by using the single-band Hubbard Hamiltonian. The unrestricted Hartree-Fock (UHF) approximation is considered without imposing any symmetry constraints neither to the size or orientation…
We discuss the key steps that have to be followed to calculate coherent quantum transport in molecular and atomic-scale systems, making emphasis on the ab-initio Gaussian Embedded Cluster Method recently developed by the authors. We present…
The determination of the energy spectra of small spin systems as for instance given by magnetic molecules is a demanding numerical problem. In this work we review numerical approaches to diagonalize the Heisenberg Hamiltonian that employ…
A point group is a set of spatial symmetry operations in molecular systems and is an indispensable tool for analyzing molecular orbitals and spectroscopy experiments in chemistry. Several quantum algorithms to exploit this symmetry have…
We study integrable models for electrons in metals when the single particle spectrum is discrete. The electron-electron interactions are BCS-like pairing, Coulomb repulsion, and spin exchange coupling. These couplings are, in general,…
Conventional methods of quantum simulation involve trade-offs that limit their applicability to specific contexts where their use is optimal. In particular, the interaction picture simulation has been found to provide substantial asymptotic…
Magnetic solitons such as skyrmions and bimerons show great promise for both fundamental research and spintronic applications. Stabilizing and controlling topological spin textures in atomically thin van der Waals (vdW) materials has gained…
We present an exact ansatz for the eigenstate problem of mixed fermion-boson systems that can be implemented on quantum devices. Based on a generalization of the electronic contracted Schr\"odinger equation (CSE), our approach guides a…
Twisted transition metal dichalcogenide (TMD) homobilayers have recently emerged as a powerful platform for studying correlated insulating states. In the strongly correlated limit, we construct an effective spin Hamiltonian on a honeycomb…
We introduce a new quantum embedding method to explore spin-phonon interactions in molecular magnets. This technique consolidates various spin/phonon couplings into a limited number of collective degrees of freedom, allowing for a fully…
A successful and promising device for the physical implementation of electron spin-valley based qubits is the Transition Metal Dichalcogenide monolayer (TMD-ML) semiconductor quantum dot. The electron spin in TMD-ML semiconductor quantum…
We report first-principles all-electron density-functional based studies of the electronic structure, magnetic ordering and anisotropy for the V$_{15}$ molecular magnet. From these calculations, we determine a Heisenberg Hamiltonian with…
Molecular nanomagnets show clear signatures of coherent behavior and have a wide variety of effective low-energy spin Hamiltonians suitable for encoding qubits and implementing spin-based quantum information processing. At the nanoscale,…
Coplanar model states for applications of the coupled cluster method (CCM) to problems in quantum magnetism are those in which all spins lie in a plane, whereas three-dimensional (3D) model states are, by contrast, non-coplanar ones in…
We study indirect exchange interactions between localized spins of magnetic impurities in spin-valley coupled systems described with the Kane-Mele model. Our model captures the main ingredients of the energy bands of 1H transition metal…
We have implemented the single-site density matrix renormalization group algorithm for the variational optimization of SU(2) \times U(1) (spin and particle number) invariant matrix product states for general spin and particle number…
A new formalism to calculate electronic states of vacancies in diamond has been developed using many-body techniques.This model is based on prevoius molecular models but does not use configuration interaction and molecular orbital…