相关论文: Recursion relations for Hylleraas three-electron i…
When electron correlations are important it is often necessary to use numerical methods to solve the Hamiltonian for a finite system (cluster) "exactly". Unfortunately, such methods are restricted to small systems. We propose to combine the…
Relativistic corrections to the hyperfine splitting are calculated for the triplet $2^3S_1$ state of the helium isotope He$^3$. High precision variational wave functions are employed, where the electron-electron correlations are well…
In this short paper, we review the Euler-Rodrigues formula for three-dimensional rotation via fractional powers of matrices. We derive the rotations by any angle through the spectral behavior of the fractional powers of the rotation matrix…
New simple proofs are given to some elementary approximate and explicit inversion formulas for Riesz potentials. The results are applied to reconstruction of functions from their integrals over Euclidean planes in integral geometry.
It can be argued that electron correlation, as a concept, deserves the same prominence in general chemistry as molecular orbital theory. We show how it acts as Nature's "chemical glue" at both the molecular and supramolecular levels.…
Extensive variational computations are reported for the ground state energy of the non-relativistic two-electron atom. Several different sets of basis functions were systematically explored, starting with the original scheme of Hylleraas.…
We prove a novel type of inversion formula for elliptic hypergeometric integrals associated to a pair of root systems. Using the (A,C) inversion formula to invert one of the known C-type elliptic beta integrals, we obtain a new elliptic…
Efficient methods are proposed, for computing integrals appeaing in electronic structure calculations. The methods consist of two parts: the first part is to represent the integrals as contour integrals and the second one is to evaluate the…
We present algorithms for computing weakly singular and near-singular integrals arising when solving the 3D Helmholtz equation with curved boundary elements. These are based on the computation of the preimage of the singularity in the…
Applications of a method recently suggested by one of the authors (R.L.) are presented. This method is based on the use of dimensional recurrence relations and analytic properties of Feynman integrals as functions of the parameter of…
Firstly, we construct kernels of integral relations among solutions of the confluent Heun equation (CHE) and its limit, the reduced CHE (RCHE). In both cases we generate additional kernels by systematically applying substitutions of…
We calculate the free energy of a hot gas of electrons and photons to three loops using the hard-thermal-loop perturbation theory reorganization of finite-temperature perturbation theory. We calculate the free energy through three loops by…
We reduce all the most complicated Feynman integrals in two-loop five-light-parton scattering amplitudes to basic master integrals, while other integrals can be reduced even easier. Our results are expressed as systems of linear relations…
Recently the correlation functions of the so-called Itzykson-Zuber/Harish-Chandra integrals were computed (by one of the authors and collaborators) for all classical groups using an integration formula that relates integrals over compact…
We describe how the reversion of a series is related to convolutional recurrence relations for the series, and we place this relationship in the context of Riordan arrays. As an example of the approach, we give new recurrence relations for…
We compute the cylindrical contact homology of the links of the simple singularities. These manifolds are contactomorphic to $S^3/G$ for finite subgroups $G\subset\text{SU}(2)$. We perturb the degenerate contact form on $S^3/G$ with a Morse…
The method of integral transforms is first applied for studying the $^3$He longitudinal response functions. The transforms are calculated from localized bound-state-type solutions to an inhomogenous Schr\"odinger-type three-body equation.…
The intensity relations for electromagnetic transition rates in the rotational coupling scheme have been a basic tool to understand the properties of nuclear collective rotations. In particular the correction terms to the leading-order…
This paper describes the algorithms for the reconstruction and identification of electrons in the central region of the ATLAS detector at the Large Hadron Collider (LHC). These algorithms were used for all ATLAS results with electrons in…
A fractional variational principle was derived in order to be used with lagrangians containing fractional derivatives of order 1/2. By forcing the action associated to this type of lagrangian to be stationary, a modified fractional…