Related papers: Symmetry-adapted closest Wannier modeling based on…
We present a computational scheme to study spin excitations in magnetic materials from first principles. The central quantity is the transverse spin susceptibility, from which the complete excitation spectrum, including single-particle…
Bands with non-trivial topological indices have a topological obstruction preventing them from being represented by exponentially localized Wannier states. Here, we propose a procedure to construct exponentially localized Wannier functions…
Typical Wannier-function downfolding starts with a mean-field or density functional set of bands to construct the Wannier functions. Here we carry out a controlled approach, using DMRG-computed natural orbital bands, to downfold the…
Obtaining a rigorous and reliable method for linking computer simulations of polymer blends and composites at different length scales of interest is a highly desirable goal in soft matter physics. In this paper a multiscale modeling…
Background: Ab initio many-body methods have been developed over the past ten years to address mid-mass nuclei... As progress in the design of inter-nucleon interactions is made, further efforts must be made to tailor many-body methods.…
We investigate in the simplest compact D=4 N=1 Type IIB orientifold models the sigma-model symmetry suggested by the proposed duality of these models to heterotic orbifold vacua. This symmetry is known to be present at the classical level,…
A mixed basis approach based on density functional theory is employed for low dimensional systems. The basis functions are taken to be plane waves for the periodic direction multiplied by B-spline polynomials in the non-periodic direction.…
We study the representation and visualization of finite-dimensional quantum systems. In a generalized Wigner representation, multi-spin operators can be decomposed into a symmetry-adapted tensor basis and they are mapped to multiple…
We propose a local notion of strong-to-weak spontaneous symmetry breaking (SW-SSB), through a local one-point fidelity correlator. Compared with the previous definition in terms of a two-point fidelity correlator, our local formulation…
A new computational framework for spinor-based relativistic exact two-component (X2C) calculations is developed using contracted basis sets with a spin-orbit contraction scheme. Generally contracted j-adapted basis sets using primitive…
A multidimensional gravitational model containing several dilatonic scalar fields and antisymmetric forms is considered. The manifold is chosen in the form M = M_0 x M_1 x ... x M_n, where M_i are Einstein spaces (i > 0). The block-diagonal…
Starting from the Quantum-Phase-Estimate (QPE) algorithm, a method is proposed to construct entangled states that describe correlated many-body systems on quantum computers. Using operators for which the discrete set of eigenvalues is…
Effective-one-body (EOB) waveforms employed by the LIGO-Virgo-KAGRA Collaboration have primarily been developed by resumming the post-Newtonian expansion of the relativistic two-body problem. Given the recent significant advancements in…
Symmetries are intrinsic to many combinatorial problems including Boolean Satisfiability (SAT) and Constraint Programming (CP). In SAT, the identification of symmetry breaking predicates (SBPs) is a well-known, often effective, technique…
Representing a strongly interacting multi-particle wave function in a finite product basis leads to errors. Simple rescaling of the contact interaction can preserve the low-lying energy spectrum and long-wavelength structure of wave…
We investigate the universality of multi-spin systems in architectures of various symmetries of coupling type and topology. Explicit reachability sets under symmetry constraints are provided. Thus for a given (possibly symmetric)…
Quantum simulation using synthetic quantum systems offers unique opportunities to explore open questions in many-body physics and a path for the generation of useful entangled states. Nevertheless, so far many quantum simulators have been…
Relativistic spin effects drive subtle molecular phenomena ranging from intersystem crossing in photodynamic therapy to spin-mediated catalysis and high-resolution spectroscopy. These effects are described by the Pauli-Breit Hamiltonian,…
Using Matrix Product Operators (MPO) the Schwinger model is simulated in thermal equilibrium. The variational manifold of gauge invariant MPO is constructed to represent Gibbs states. As a first application the chiral condensate in thermal…
One of the long standing problems in quantum chemistry had been the inability to exploit full spatial and spin symmetry of an electronic Hamiltonian belonging to a non-Abelian point group. Here we present a general technique which can…