Related papers: Third-Generation TB-LMTO
The explicit semiclassical treatment of logarithmic perturbation theory for the bound-state problem within the framework of the radial Klein-Gordon equation with attractive real-analytic screened Coulomb potentials, contained time-component…
Density matrix downfolding (DMD) is a technique for regressing low-energy effective Hamiltonians from quantum many-body Hamiltonians. One limiting factor in the accuracy of classical implementations of DMD is the presence of…
We introduce a nonlinear Schroedinger equation (NLSE) which combines the pseudo-stimulated-Raman-scattering (pseudo-SRS) term, i.e., a non-conservative cubic one with the first spatial derivative, and an external potential, which helps to…
In this paper we propose a new algorithm for obtaining the rational integrals of the full Kostant-Toda lattice. This new approach is based on a reduction of a bi-Hamiltonian system on gl(n,R). This system was obtained by reducing the space…
We propose a systematic T-matrix approach to solve few-body problems with s-wave contact interactions in ultracold atomic gases. The problem is generally reduced to a matrix equation expanded by a set of orthogonal molecular states,…
A novel unified Hamiltonian approach is proposed to solve Maxwell-Schrodinger equation for modeling the interaction between classical electromagnetic (EM) fields and particles. Based on the Hamiltonian of electromagnetics and quantum…
We present several improvements to the standard Trotter-Suzuki based algorithms used in the simulation of quantum chemistry on a quantum computer. First, we modify how Jordan-Wigner transformations are implemented to reduce their cost from…
Some short history of few-body methods originated from the famous Skornyakov-Ter-Martirosyan equation is given, including latest development of Faddeev formalism and Efimov states. The 3q system is shown to require an alternative, which is…
New algorithms are proposed for the Tucker approximation of a 3-tensor, that access it using only the tensor-by-vector-by-vector multiplication subroutine. In the matrix case, Krylov methods are methods of choice to approximate the dominant…
We present a general theory to treat periodic solids with quantum-chemistry methods. It relies on two main developments: 1) the modeling of a solid as a Clifford torus which is a torus that is both periodic and flat and 2) the introduction…
A multiscale time integrator Fourier pseudospectral (MTI-FP) method is proposed and analyzed for solving the Klein-Gordon-Schr\"{o}dinger (KGS) equations in the nonrelativistic limit regime with a dimensionless parameter $0<\varepsilon\le1$…
High-dimensional stochastic optimal control (SOC) becomes harder with longer planning horizons: existing methods scale linearly in the horizon $T$, with performance often deteriorating exponentially. We overcome these limitations for a…
We present a quantum computing algorithm for fluid flows based on the Carleman-linearization of the Lattice Boltzmann (LB) method. First, we demonstrate the convergence of the classical Carleman procedure at moderate Reynolds numbers,…
The local Hamiltonian (LH) problem is the canonical $\mathsf{QMA}$-complete problem introduced by Kitaev. In this paper, we show its hardness in a very strong sense: we show that the 3-local Hamiltonian problem on $n$ qubits cannot be…
Recently, the Asymptotic Iteration Method (AIM) was used to calculate the energy spectrum for a short rang three parameter central potential which was introduced by H. Bahlouli and A. D. Alhaidari. The S-orbital wave solution of the…
We present a newly developed scheme for atomic relaxations of magnetic supported clusters. Our approach is based on the full potential Korringa-Kohn-Rostoker Green's function method and the second moment tight-binding approximation for…
We present a simplified derivation of the relativistic three-particle quantization condition for identical, spinless particles described by a generic relativistic field theory satisfying a $\mathbb Z_2$ symmetry. The simplification is…
We present a rigorous derivation of a real space Full-Potential Multiple-Scattering-Theory (FP-MST), valid both for continuum and bound states, that is free from the drawbacks that up to now have impaired its development, in particular the…
We developed a general framework for hybrid quantum-classical computing of molecular and periodic embedding approaches based on an orbital space separation of the fragment and environment degrees of freedom. We demonstrate its potential by…
We develop a quantum algorithm for linear algebraic equations $ A\bb{x} = \bb{b} $ from the perspective of Schr\"odingerization-form problems, which are characterized by a system of linear convection equations in one higher dimension. When…