相关论文: Recursion relations for Hylleraas three-electron i…
For each element of certain families of integer sequences, we study the term-wise ratios of the Hankel transforms of three sequences related to that element by series reversion. In each case, the ratios define well-known sequences, and in…
We derive a local approximation for the correlation energy in two-dimensional electronic systems. In the derivation we follow the scheme originally developed by Colle and Salvetti for three dimensions, and consider a Gaussian approximation…
Algorithms for numerical computation of symmetric elliptic integrals of all three kinds are improved in several ways and extended to complex values of the variables (with some restrictions in the case of the integral of the third kind).…
This study presents the derivation of a recursive formula for integrals of products of $N$ Hermite polynomials, establishing a numerically stable scheme for their accurate evaluation in computer codes. The derivation is notably simple and…
We use the Tridiagonal Representation Approach (TRA) to obtain exact bound states solution (energy spectrum and wavefunction) of the Schr\"odinger equation for a three-parameter short-range potential with 1/r, 1/r^2 and 1/r^3 singularities…
The analysis of correlation energy of the simplest first approximation of a variational method for the intrashell states of two-electron atoms is the purpose of the present work. This method allows to divide energy of atom on Coulomb and…
Analytic solutions for the energy eigenvalues are obtained from a confined potentials of the form $br$ in 3 dimensions. The confinement is effected by linear term which is a very important part in Cornell potential. The analytic eigenvalues…
The accuracy of reconstruction of a response function from its Lorentz integral transform is studied in an exactly solvable model. An inversion procedure is elaborated in detail and features of the procedure are studied. Unlike results in…
An optimal 3-point quadrature formula of closed type is derived. Various error inequalities are established. Applications in numerical integration are also given.
We report a class of symmetry-intergable third-order evolution equations in 1+1 dimensions under the condition that the equations admit a second-order recursion operator that contains an adjoint symmetry (integrating factor) of order six.…
We derive a concise closed-form solution for a linear three-term recurrence relation. Such recurrence relations are very common in the quantitative sciences, and describe finite difference schemes, solutions to problems in Markov processes…
We develop a scheme to exactly evaluate the correlation energy in the random-phase approximation, based on linear response theory. It is demonstrated that our formula is completely equivalent to a contour integral representation recently…
The threshold transverse response functions R_T(q,omega) for 3He and 3H are calculated using the AV18 nucleon-nucleon potential, the UrbanaIX three-body force, and the Coulomb potential. Final states are completely taken into account via…
We investigate a reaction of boron trichloride (BCl3) with iron(III) hydroxide (Fe(OH)3) by ab initio quantum chemical calculation as a simple model for a reaction of iron impurities in BCl3 gas. We also examine a reaction with water. We…
The non-relativistic electronic Hamiltonian, H(a)= Hkin + Hne + aHee, extended with coupling strength parameter (a), allows to switch the electron-electron repulsion energy off and on. First, the easier a=0 case is solved and the solution…
In this short article, we non-perturbatively derive a recursive formula for the Green's function associated with finitely many point Dirac delta potentials in one dimension. We also extend this formula to the case for the Dirac delta…
Strongly correlated electron systems require the development of new theoretical schemes in order to describe their unusual and unexpected properties. The usual perturbation schemes are inadequate and new concepts must be introduced. In our…
Fast computational method for Hertzian contact theory is proposed. An incremental formula is introduced to calculate the ellipticity of the contact disk when two elastic bodies are in contact. This method can determine the ellipticity with…
Closed orbit theory is generalized to the semiclassical calculation of cross-correlated recurrence functions for atoms in external fields. The cross-correlation functions are inverted by a high resolution spectral analyzer to obtain the…
The author suggests an approach based on the separation of total energy of multielectron systems into the semi-classical Coulomb part and the non-classical additional part. This approach allows on the one hand to simplify calculations and…