Related papers: An approximate method for calculating transfer int…
In this paper, we present a new approach for the exact calculation of band structure in one-dimensional periodic media, such as photonic crystals and superlattices, based on the recently reported differential transfer matrix method (DTMM).…
A detailed description and validation of a recently developed integration scheme is here reported for one- and two-dimensional reaction-diffusion models. As paradigmatic examples of this class of partial differential equations the complex…
We present a general method of folding an integrable spin chain, defined on a line, to obtain an integrable open spin chain, defined on a half-line. We illustrate our method through two fundamental models with sl(2) Lie algebra symmetry:…
We propose a simple procedure by which the interaction parameters of the classical spin Hamiltonian can be determined from the knowledge of four-point correlation functions and specific heat. The proposal is demonstrated by using the…
This paper presents an alternative approach for the computation of trajectory segments on slow manifolds of saddle type. This approach is based on iterative methods rather than collocation-type methods. Compared to collocation methods, that…
We analyze the dynamical generation of entanglement in systems of two interacting spins initially prepared in a product of spin coherent states. For arbitrary time-independent Hamiltonians, we derive a semiclassical expression for the…
In this work our previous fully differential ionization cross section calculations using the semiclassical, impact parameter method are improved by a new method suitable to calculate impact parameter values corresponding to different…
Hamiltonian splitting methods are an established technique to derive stable and accurate integration schemes in molecular dynamics, in which additional accuracy can be gained using force gradients. For rigid bodies, a tradition exists in…
In past work we introduced a method which allows for exact computations of entanglement Hamiltonians. The method relies on computing the resolvent for the projected (on the entangling region) Green's function using a solution to the…
We clarify the algebraic structure of continuous and discrete quasi-exactly solvable spectral problems by embedding them into the framework of the quantum inverse scattering method. The quasi-exactly solvable hamiltonians in one dimension…
Starting from exact eigenstates for a symmetric ring, we derive a low-energy effective generalized Anderson Hamiltonian which contains two spin doublets with opposite momenta and a singlet for the neutral molecule. For benzene, the singlet…
We present a novel generalization of the two-stream method of radiative transfer, which allows for the accurate treatment of radiative transfer in the presence of strong infrared scattering by aerosols. We prove that this generalization…
Diffusion couple technique is an efficient tool for the estimating the chemical diffusion coefficients. Typical experimental uncertainties of the composition profile measurements complicate a correct determination of the interdiffusion…
The Feynman path integral approach for computing equilibrium isotope effects and isotope fractionation corrects the approximations made in standard methods, although at significantly increased computational cost. We describe an accelerated…
An $ab$ $initio$ investigation of the family of molecular compounds TM$_2$$X$ is conducted, where TM is either TMTSF or TMTTF and $X$ takes centrosymmetric monovalent anions. By deriving the extended Hubbard-type Hamiltonians from…
Following the discrete embedding formalism, we give a new derivation of the mid-point variational integrators as developed by J.M. Wendlandt and J.E. Marsden by defining an adapted order two discrete differential and integral calculus. This…
Using the Trace Minimization Algorithm, we carried out an exact calculation of entanglement in a 19-site two-dimensional transverse Ising model. This model consists of a set of localized spin-1/2 particles in a two dimensional triangular…
The exciton dispersion is examined in the case of four selected prototypical molecular solids: pentacene,tetracene,picene,chrysene. The model parameters are determined by fitting to experimental data obtained by inelastic electron…
A method for deriving superintegrable Hamiltonians with a spin orbital interaction is presented. The method is applied to obtain a new superintegrable system in Euclidean space $\mathbb{E}_3$ with the following properties. It describes a…
An efficient algorithm for calculating radiative transfer on massively parallel computers using domain decomposition is presented. The integral formulation of the transfer equation is used to divide the problem into a local but…