Related papers: Recursion relations for Hylleraas three-electron i…
We show that the energy of a perturbed system can be fully recovered from the unperturbed system's electron density. We derive an alchemical integral transform by parametrizing space in terms of transmutations, the chain rule and…
In this paper we develop a technique of computation of correlation functions in theories with action being cubic or higher degree form in terms of discriminants of corresponding tensors. These are analogues of formula $\int \exp…
In this contribution we present calculations performed for interacting electron systems within a non-perturbative formulation of the cluster theory. Extrapolation of the model to describe the time dependence of the interacting systems is…
Partition functions of a canonical ensemble of non-interacting bound electrons are a key ingredient of the super-transition-array approach to the computation of radiative opacity. A few years ago, we published a robust and stable recursion…
Electron correlation effects are essential for an accurate ab initio description of molecules. A quantitative a priori knowledge of the single- or multi-reference nature of electronic structures as well as of the dominant contributions to…
The simple method outlined in our earlier paper [B.Padhy, Orissa Journal of Physics, vol.19, No.1, p.1, February 2012] has been utilized here for analytic evaluation of three different five-electron atomic integrals with integrands…
We introduce a new method for computing triply graded link homology, which is particularly well-adapted to torus links. Our main application is to the (n,n)-torus links, for which we give an exact answer for all n. In several cases, our…
Recursive formulas extending some known $_{2}F_{1}$ and $_{3}F_{2}$ summation formulas by using contiguous relations have been obtained. On the one hand, these recursive equations are quite suitable for symbolic and numerical evaluation by…
In any ab initio molecular orbital (MO) calculations, the major task involves the computation of the so-called molecular multi-center integrals. Multi-center integral calculations is a very challenging mathematical problem in nature.…
A simple approximation within the framework of the hybrid methods for the calculation of the electronic structure of solids is presented. By considering only the diagonal elements of the perturbation operator (Hartree-Fock exchange minus…
We give a prescription for calculating the entanglement entropy in holographic probe brane systems by systematically taking the leading order backreaction of the probe brane into account. We find a simple compact double integral formula,…
We compute three particle correlations in the Glasma flux tube model of high energy heavy ion collisions. We obtain a simple geometrical picture of these correlations; when convoluted with final state radial flow, it results in distinct…
We assume a triple geometric structure for the electromagnetic nuclear interaction. This nuclear electromagnetism is used to calculate the binding energies of the alpha particle and the A=3 isobar nuclides. The approximation for the…
We describe a formulation of multi-reference perturbation theory that obtains a rigorous upper bound to the second order energy by minimizing the Hylleraas functional in the space of matrix product states (MPS). The first order…
We construct fast algorithms for evaluating transforms associated with families of functions which satisfy recurrence relations. These include algorithms both for computing the coefficients in linear combinations of the functions, given the…
We investigate the possibility of using a transcorrelated Hamiltonian to describe electron correlation. Amethod to obtain transcorrelatedwavefunctionswas developed based on the mathematical framework of the bi-variational principle. This…
A calculation of the simplest part of the second-order electron self-energy (loop after loop irreducible contribution) for hydrogen-like ions with nuclear charge numbers $3 \leq Z \leq 92$ is presented. This serves as a test for the more…
In this paper, we present a new algorithm for computing the linear recurrence relations of multi-dimensional sequences. Existing algorithms for computing these relations arise in computational algebra and include constructing structured…
In this article we give an algorithm for computing the integral closure of a reduced Noetherian ring R, in case this integral closure is finitely generated over R.
A general approach for derivation of the spectral relations for the multitime correlation functions is presented. A special attention is paid to the consideration of the non-ergodic (conserving) contributions and it is shown that such…