Related papers: Generalised Nonorthogonal Matrix Elements: Unifyin…
We present a novel route to constructing cost-efficient semi-empirical approximations for the non-additive kinetic energy in subsystem density functional theory. The developed methodology is based on the use of Slater determinants composed…
Many models for chaotic systems consist of joining two integrable systems with incompatible constants of motion. The quantum counterparts of such models have a propagator which factorizes into two integrable parts. Each part can be…
We generalize entanglement detection with covariance matrices for an arbitrary set of observables. A generalized uncertainty relation is constructed using the covariance and commutation matrices, then a criterion is established by…
We extend the algorithm of Darmon-Green and Darmon-Pollack for computing p-adic Darmon points on elliptic curves to the case of composite conductor. We also extend the algorithm of Darmon-Logan for computing ATR Darmon points to treat…
In a recent paper Ozdogan (Z. Naturforsch, 59a(2004)743) published formulas for evaluating the two-center overlap and nuclear attraction integrals over integer and noninteger Slater type orbitals. The purpose of this article is to point out…
Valence-bond-based wavefunctions, such as the spin-coupled generalized valence bond (SCGVB) ansatz, provide compact and chemically interpretable descriptions of strong correlation. However, their non-orthogonal determinant structure poses a…
Common trends in model order reduction of large nonlinear finite-element-discretized systems involve the introduction of a linear mapping into a reduced set of unknowns, followed by Galerkin projection of the governing equations onto a…
In this paper we introduce the algorithm and the fixed point hardware to calculate the normalized singular value decomposition of a non-symmetric matrices using Givens fast (approximate) rotations. This algorithm only uses the basic…
We introduce a quadratically convergent semismooth Newton method for nonlinear semidefinite programming that eliminates the need for the generalized Jacobian regularity, a common yet stringent requirement in existing approaches. Our…
The goal of this paper is to sketch a broader outline of the mathematical structures present in the Nonlinear Maxwell Theory in continuation of work presented in my previous articles. In particular, I display new types of both dynamic and…
General method is suggested to find non-relativistic and relativistic matrix elements of one- and two-electron operators for any number of open shells in atom, requiring neither coefficients of fractional parentage nor unit tensors. It is…
Using the complete orthonormal sets of radial parts of nonrelativitistic exponential type orbitals (2,1, 0, 1, 2, ...) and spinor type tensor spherical harmonics of rank s the new formulae for the 2(2s+1)-component relativistic spinors…
The problem of decomposing non-manifold object has already been studied in solid modeling. However, the few proposed solutions are limited to the problem of decomposing solids described through their boundaries. In this thesis we study the…
Near full-null degenerate singular points of analytic vector fields, asymptotic behaviors of orbits are not given by eigenvectors but totally decided by nonlinearities. Especially, in the case of high full-null degeneracy, i.e., the lowest…
The decomposition of nonlocal operators (and of their matrix elements) into an (infinite) series w.r.t. geometric twist is used to introduce (new) parton distributions, generalized parton distributions and hadron wave functions of definite…
The relativistic approach to electroweak properties of two-particle composite systems developed in previous work is generalized here to the case of nonzero spin. This approach is based on the use of the instant form of relativistic…
Slater determinants have underpinned quantum chemistry for nearly a century, yet their full potential has remained challenging to exploit. In this work, we show that a variational wavefunction composed of a few hundred optimized…
Space-time multivectors in Clifford algebra (space-time algebra) and their application to nonlinear electrodynamics are considered. Functional product and infinitesimal operators for translation and rotation groups are introduced, where…
In this work we present a number of generalizations of Wick's theorems on integrals with Gaussian weight to a larger class of weights which we call subgaussian. Examples of subgaussian contractions are that of Kac-Moody or Virasoro type,…
Relativistic correction to the Coulomb interaction is considered for strongly correlated electron orbitals. The atomic representation of the Coulomb-Breit interaction and its physical origin are clarified, to generalize a concept of the…