Related papers: Local Hamiltonians for quantitative Green's functi…
A reformulation of site-occupation embedding theory (SOET) in terms of Green's functions is presented. Referred to as site-occupation--Green's function embedding theory (SOGET), this novel extension of density-functional theory for model…
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 present an efficient implementation of ab initio many-body quantum embedding and local correlation methods for infinite periodic systems through translational symmetry adapted interpolative separable density fitting, an approach which…
We describe an efficient approximation algorithm for evaluating the ground-state energy of the classical Ising Hamiltonian with linear terms on an arbitrary planar graph. The running time of the algorithm grows linearly with the number of…
It is shown that the Hamiltonian for a quantum magnetic impurity on the surface of a topological insulator can be mapped to the conventional pseudo-gap Anderson impurity model, albeit with the combinations of continuum states which…
A nonlinear Helmholtz equation (NLH) with high wave number and Sommerfeld radiation condition is approximated by the perfectly matched layer (PML) technique and then discretized by the linear finite element method (FEM).…
With the development of low order scaling methods for performing Kohn-Sham Density Functional Theory, it is now possible to perform fully quantum mechanical calculations of systems containing tens of thousands of atoms. However, with an…
A systematic search for superintegrable quantum Hamiltonians describing the interaction between two particles with spin 0 and 1/2, is performed. We restrict to integrals of motion that are first-order (matrix) polynomials in the components…
Quantum computing has recently exhibited great potentials in predicting chemical properties for various applications in drug discovery, material design, and catalyst optimization. Progress has been made in simulating small molecules, such…
A classical problem in acoustic (and electromagnetic) scattering concerns the evaluation of the Green's function for the Helmholtz equation subject to impedance boundary conditions on a half-space. The two principal approaches used for…
An approximate diagonalization method is proposed that combines exact diagonalization and perturbation expansion to calculate low energy eigenvalues and eigenfunctions of a Hamiltonian. The method involves deriving an effective Hamiltonian…
The use of near-term quantum devices that lack quantum error correction, for addressing quantum chemistry and physics problems, requires hybrid quantum-classical algorithms and techniques. Here we present a process for obtaining the…
The use of the Factorization method for Electrical Impedance Tomography has been proved to be very promising for applications in the case where one wants to find inhomogeneous inclusions in a known background. In many situations, the…
Microscopically conserving reduced models of many-body systems have a long, highly successful history. Established theories of this type are the random-phase approximation for Coulomb fluids and the particle-particle ladder model for…
The formation of Stationary Localized states due to a nonlinear dimeric impurity embedded in a perfect 1-d chain is studied here using the appropriate Discrete Nonlinear Schr$\ddot{o}$dinger Equation. Furthermore, the nonlinearity has the…
Modeling low energy eigenstates of fermionic systems can provide insight into chemical reactions and material properties and is one of the most anticipated applications of quantum computing. We present three techniques for reducing the cost…
We present a new numerical method for the isometric embedding of 2-geometries specified by their 2-metrics in three dimensional Euclidean space. Our approach is to directly solve the fundamental embedding equation supplemented by six…
We introduce a new renormalisation scheme to construct the Landau quasiparticles of Fermi fluids. The scheme relies on an energy cutoff $\Lambda$ which removes the quasi-resonant couplings, enabling the dressing of the particles into…
In this talk I present a simple and unified approach to both exact and quasi-exact solvabilities of the one-dimensional Schr\"odinger equation. It is based on the prepotential together with Bethe ansatz equations. This approach gives the…
We present an accurate equation of state for water based on a simple microscopic Hamiltonian, with only four parameters that are well-constrained by bulk experimental data. With one additional parameter for the range of interaction, this…