Related papers: Recurrence relations for four-electron integrals o…
In a recently developed approximation technique for quantum field theory the standard one-loop result is used as a seed for a recursive formula that gives a sequence of improved Gaussian approximations for the generating functional. In this…
A fully tensorial theoretical framework for hypercomplex-valued neural networks is presented. The proposed approach enables neural network architectures to operate on data defined over arbitrary finite-dimensional algebras. The central…
A way to account for correlations between the chemically active (valence) and innermore (core) electrons in the framework of the generalized relativistic effective core potential (GRECP) method is suggested. The "correlated" GRECP's…
We show how to adapt the quasi-Newton method to the electronic-structure calculations using systematic basis sets. Our implementation requires less iterations than the conjugate gradient method, while the computational cost per iteration is…
The Slater orbitals are the natural basis functions in quantum molecular calculations. Three-center repulsion Coulomb-exchange integrals over Slater orbitals are evaluated analytically with arbitrary orbital exponents, first for linear…
In this paper, basing on the linear algebra methods and elementary techniques, for any positive integers $ e $ and $ n $, we obtain a recursion formula for the generalized Euler function $ \varphi_e(n) $, which is determined by some…
Many boundary element integral equation kernels are based on the Green's functions of the Laplace and Helmholtz equations in three dimensions. These include, for example, the Laplace, Helmholtz, elasticity, Stokes, and Maxwell's equations.…
The computation of matrix functions is a well-studied problem. Of special importance are the exponential and the logarithm of a matrix, where the latter also raises existence and uniqueness questions. This is particularly relevant in the…
In recent years, there has been considerable interest in developing machine learning models on graphs to account for topological inductive biases. In particular, recent attention has been given to Gaussian processes on such structures since…
Analytical Hartree-Fock gradients with respect to the cell parameter have been implemented in the electronic structure code CRYSTAL, for the case of one and two-dimensional periodicity. As in most molecular codes, Gaussian type orbitals are…
We derive the general structure of the space of formal recursion operators of nonevolutionary equations~$q_{tt}=f(q,q_{x},q_t,q_{xx},q_{xt},q_{xxx},q_{xxxx})$. This allows us to classify integrable Lagrangian systems with a higher order…
Reciprocal transformations mix the role of the dependent and independent variables to achieve simpler versions or even linearized versions of nonlinear PDEs. These transformations help in the identification of a plethora of PDEs available…
We consider a framework for the construction of iterative schemes for operator equations that combine low-rank approximation in tensor formats and adaptive approximation in a basis. Under fairly general assumptions, we obtain a rigorous…
Often, polynomials or rational functions, orthogonal for a particular inner product are desired. In practical numerical algorithms these polynomials are not constructed, but instead the associated recurrence relations are computed.…
In his article "Powerlist: A Structure for Parallel Recursion" Jayadev Misra wrote: "Many data parallel algorithms - Fast Fourier Transform, Batcher's sorting schemes and prefix sum - exhibit recursive structure. We propose a data…
A recursion operator is an integro-differential operator which maps a generalized symmetry of a nonlinear PDE to a new symmetry. Therefore, the existence of a recursion operator guarantees that the PDE has infinitely many higher-order…
This paper presents a comprehensive analysis of the well-known extragradient (EG) method for solving both equations and inclusions. First, we unify and generalize EG for [non]linear equations to a wider class of algorithms, encompassing…
In the framework of dimensional regularization, we propose a generalization of the renormalization group equations in the case of the perturbative quantum gravity that involves renormalization of the metric and of the higher order Riemann…
Recently, the concept of generating function has been employed in one-loop reduction. For one-loop integrals encompassing arbitrary tensor ranks and higher-pole contributions, the generating function can be decomposed into a tensor part and…
In his article "Powerlist: A Structure for Parallel Recursion" Jayadev Misra wrote: "Many data parallel algorithms Fast Fourier Transform, Batcher's sorting schemes and prefix sum -exhibit recursive structure. We propose a data structure,…