相关论文: Extended Hylleraas three-electron integral
An extension of two finite trigonometric series is studied to derive closed form formulae involving the Hurwitz-Lerch zeta function. The trigonometric series involves angles with a geometric series involving the powers of 3. These closed…
Complexation in symmetric solutions of oppositely charged polyelectrolytes is studied theoretically. We include polyion crosslinking due to formation of thermoreversible ionic pairs. The electrostatic free energy is calculated within the…
The Hylleraas coordinates $s=r_{1}+r_{2}$, $t=r_{1}-r_{2}$, $u=|{\bf r}_{1}-{\bf r}_{2}|$ are the natural coordinates for the determination of properties of the Helium atom, the positive ions of its isoelectronic sequence, and the negative…
We obtain exact, simple and very compact expressions for the linearization coefficients of the products of orthogonal polynomials; both the conventional Clebsch-Gordan-type and the modified version. The expressions are general depending…
We present compact expressions for the power corrections to the hard thermal loop (HTL) Lagrangian of QED in $d$ space dimensions. These are corrections of order $(L/T)^2$, valid for momenta $L \ll T$, where $T$ is the temperature. In the…
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…
We present a new hybrid method to solve the relativistic Hartree-Fock-Roothan equations where the one- and two-electron radial integrals are evaluated numerically by defining the basis functions on a grid. This procedure reduces the…
This contribution is motivated by old and recent works on matrix powers and their applications on combinatorial sequences. We give in this paper the $s$-th powers and the inverses for special upper triangular matrices and the $s$-th powers…
We point out that exponential shape of transverse spectra can be obtained as the Fourier transform of the limiting distribution of randomly positioned partons with power law spectra given by pQCD, which actually realize Tsallis…
Accurate predictions for hydrogen molecular levels require the treatment of electrons and nuclei on an equal footing. While nonrelativistic theory has been effectively formulated this way, calculation of relativistic and quantum…
Explicitly-correlated F12 methods are becoming the first choice for high-accuracy molecular orbital calculations, and can often achieve chemical accuracy with relatively small gaussian basis sets. In most calculations, the many three- and…
We calculate 3-loop master integrals for heavy quark correlators and the 3-loop QCD corrections to the $\rho$-parameter. They obey non-factorizing differential equations of second order with more than three singularities, which cannot be…
We derive a general expression for the multipole expansion of the electro-magnetic interaction in relativistic heavy-ion collisions, which can be employed in higher-order dynamical calculations of Coulomb excitation. The interaction has…
We perform total energy calculations based on the tight-binding Hamiltonian scheme (i) to study the structural properties and energetics of the extended {311} defects depending upon their dimensions and interstitial concentrations and (ii)…
We compute the ground-state electric dipole polarizability of group-IIIA ions using the perturbed relativistic coupled-cluster (PRCC) theory. To account for the relativistic effects and QED corrections, we use the Dirac-Coulomb-Breit…
Early-time electron-positron correlation in vacuum pair-production in an external field is investigated. The entangled electron and positron wave functions are obtained analytically in the configuration and momentum spaces. It is shown…
The relativistic Breit Hamiltonian between electrons is transformed into an effective vector potential ${\bf A}_i$ for the $i.$th electron, ${\bf A}_i$ having the structure of a recoil--corrected hyperfine operator. Apart from a small…
The interaction of an electron with a local static charge distribution (e.g., an atom or molecule) is dominated at large distances by the radial 1/r Coulomb potential. The second order effect comes from the non-central electric dipole…
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.…
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…