Related papers: Spin-Generator Coordinate Method for Electronic St…
Multicomponent methods are a conceptually simple way to include nuclear quantum effects into quantum chemistry calculations. In multicomponent methods, the electronic molecular orbitals are described using the linear combination of atomic…
We simulate the coherence of two coupled electron spins interacting with a bath of nuclei using the generalized cluster correlation expansion (gCCE) method. An exchange interaction between the electrons facilitates a family of entangling…
We present a theory of electronic properties of gated triangular graphene quantum dots with zigzag edges as a function of size and carrier density. We focus on electronic correlations, spin and geometrical effects using a combination of…
We show here that the Hamiltonian for an electronic system may be written exactly in terms of fluctuation operators that transition constituent fragments between internally correlated states, accounting rigorously for inter-fragment…
Arrays of semiconductor quantum dots provide a powerful platform to design correlated quantum matter from the bottom up. We establish a predictive framework for engineering local electron pairing in these artificial molecules by…
We give a detailed description of a recently proposed first principles approach to the electronic structure of strongly correlated materials. The method combines the GW approximation with dynamical mean field theory. It is designed to…
The Wigner localization is an electron phase at low densities when the electrons are sharply localized around equilibrium positions. The simulation of the Wigner localization phenomenon requires careful treatment of the many-body…
The generalized time-dependent generator coordinate method (TD-GCM) is extended to include pairing correlations. The correlated GCM nuclear wave function is expressed in terms of time-dependent generator states and weight functions. The…
An exact study of charge-spin separation, pairing fluctuations and pseudogaps is carried out by combining the analytical eigenvalues of the four-site Hubbard clusters with the grand canonical and canonical ensemble approaches in a…
Frustrated triangular molecular magnets (MMs) with anti-ferromagnetic ground states (GS) are an important class of magnetic systems with potential applications in quantum information processing. The two-fold degenerate GS of these…
We use a generalized master equation (GME) to describe the nonequilibrium magnetotransport of interacting electrons through a broad finite quantum wire with an embedded ring structure. The finite quantum wire is weakly coupled to two broad…
GKP codes encode a qubit in displaced phase space combs of a continuous-variable (CV) quantum system and are useful for correcting a variety of high-weight photonic errors. Here we propose atomic ensemble analogues of the single-mode CV GKP…
The block entanglement entropy and fluctuations are investigated in one dimension in finite size correlated electron systems using the Gutzwiller wave function as a prototype correlated electron state. Entanglement entropy shows logarithmic…
We introduce an electronic structure approach for spin symmetry breaking and restoration from the mean-field level. The spin-projected constrained-unrestricted Hartree-Fock (SPcUHF) method restores the broken spin symmetry inherent in…
We present a theory of graphene quantum rings designed to produce degenerate shells of single particle states close to the Fermi level. We show that populating these shells with carriers using a gate leads to correlated ground states with…
Correlation is a fundamental statistical measure of order in interacting quantum systems. In solids, electron correlations govern a diverse array of material classes and phenomena such as heavy fermion compounds, Hunds metals, high-Tc…
Spin systems are fundamental models of statistical physics that provide insight into collective behavior across scientific domains. Their interest to computer science stems in part from the deep connection between the phase transitions they…
The strong-coupling perturbation theory (SCPT) for correlated electron systems is extended to the case of full Coulomb interaction. The Coulomb mechanism of the orbital polarization is discussed and attention is paid to the importance of…
The emergence of collective behaviors and the existence of large amplitude motions are both central features in the fields of nuclear structure and reactions. From a theoretical point of view, describing such phenomena requires increasing…
The ground state search problem is central to quantum computing, with applications spanning quantum chemistry, condensed matter physics, and optimization. The Variational Quantum Eigensolver (VQE) has shown promise for small systems but…