Related papers: First-principles method justifying the Dieke diagr…
A new primal-dual weak Galerkin (PDWG) finite element method is introduced and analyzed for the ill-posed elliptic Cauchy problems with ultra-low regularity assumptions on the exact solution. The Euler-Lagrange formulation resulting from…
We apply the quasiparticle self-consistent GW method (QSGW) to slab models of ionic materials, LiF, KF, NaCl, MgO, and CaO, under electric field. Then we obtain the optical dielectric constants E(Slab) from the differences of the slopes of…
In general, the system of $2$nd-order partial differential equations made of the Euler-Lagrange equations of classical field theories are not compatible for singular Lagrangians. This is the so-called second-order problem. The first aim of…
We apply the recently proposed Sample-based Krylov Quantum Diagonalization (SKQD) method to lattice gauge theories, using the Schwinger model with a $\theta$-term as a benchmark. SKQD approximates the ground state of a Hamiltonian,…
We use a self-assembled two-dimensional Coulomb crystal of $\sim 70$ ions in the presence of an external transverse field to engineer a simulator of the Dicke Hamiltonian, an iconic model in quantum optics which features a quantum phase…
We present an exact method to calculate the electronic states of one electron Hamiltonians with diagonal disorder. We show that the disorder averaged one particle Green's function can be calculated directly, using a deterministic complex…
Entanglement is central to our understanding of many-body quantum matter. In particular, the entanglement spectrum, as eigenvalues of the reduced density matrix of a subsystem, provides a unique footprint of properties of strongly…
Inspired by problems arising in the geometrical treatment of Yang-Mills theories and Palatini's gravity, the covariant formulation of Hamiltonian dynamical systems as a Hamiltonian field theory of dimension $1+0$ on a manifold with boundary…
The full-dimensional time-dependent Schrodinger equation for the electronic dynamics of single-electron systems in intense external fields is solved directly using a discrete method. Our approach combines the finite-difference and Lagrange…
Using the orbital-free density functional theory as a model theory, we present an analysis of the field theoretic approach to quasi-continuum method. In particular, by perturbation method and multiple scale analysis, we provide a formal…
We present the results of Gaussian-based ground-state and excited-state equation-of-motion coupled-cluster theory with single and double excitations for three-dimensional solids. We focus on diamond and silicon, which are paradigmatic…
We study the geometric particle-in-cell methods for an electrostatic hybrid plasma model. In this model, ions are described by the fully kinetic equations, electron density is determined by the Boltzmann relation, and space-charge effects…
We apply Poisson reduction techniques to describe asymptotic fully nonlinear models of fluid wave motion in the Hamiltonian setting. We start by considering Zakharov and Benjamin Hamiltonian settings for a stably stratified $2D$ Euler…
We study the relationship between the equations of first order Lagrangian field theory on fiber bundles and the covariant Hamilton equations on the finite-dimensional polysymplectic phase space of covariant Hamiltonian field theory. The…
The effective crystal field Hamiltonian provides the key description of the electronic properties of single-ion magnets, but obtaining its parameters from ab initio computation is challenging. We introduce a simple approach to derive the…
We present a quasiparticle self-consistent $GW$ (QSGW) implementation for periodic systems based on crystalline Gaussian basis sets. Our QSGW approach is based on a full-frequency analytic continuation GW scheme with Brillouin zone sampling…
Strongly-coupled Quantum Field Theories (QFTs) are ubiquitous in high energy physics and many-body physics, yet our ability to do precise computations in such systems remains limited. Hamiltonian Truncation is a method for doing…
Recently, the family of rare-earth chalcohalides were proposed as candidate compounds to realize the Kitaev spin liquid (KSL). In the present work, we firstly propose an effective spin Hamiltonian consistents with the symmetry group of the…
A primary goal at the interface of theoretical and experimental quantum magnetism is the investigation of exotic spin states, most notably quantum spin liquids (QSLs). Magnetic rare-earth ions go beyond the straightforward paradigm of…
A description of photoassociation by CW laser is formulated in the framework of grid methods. The Hamiltonian describing one or several bound states coupled to a multiple of continuum manifolds via a radiative field is written in the energy…