Related papers: Recurrence Formulas for Fully Exponentially Correl…
In the spirit of the Head-Gordon-Pople algorithm, we report vertical, transfer and horizontal recurrence relations for the efficient and accurate computation of four-electron integrals over Gaussian basis functions. Our recursive approach…
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…
Calculations of the leading quantum electrodynamics effects in few electron systems involve singular matrix elements of the inter-electronic distances of the form $1/r_i^3$ and $1/r_{ij}^3$. Integrals that result when the nonrelativistic…
A recursive algebraic method which allows to obtain the Feynman or Schwinger parametric representation of a generic L-loops and (E+1) external lines diagram, in a scalar $\phi ^{3}\oplus \phi ^{4}$ theory, is presented. The representation…
A simple method is outlined for analytic evaluation of the basic 2-electron atomic integral with integrand containing products of atomic s-type Slater orbitals and exponentially correlated function of the form $r_{ij}…
Various properties of the general two-center two-electron integral over the explicitly correlated exponential function are analyzed for the potential use in high precision calculations for diatomic molecules. A compact one dimensional…
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…
A closed form expression for the three-electron Hylleraas integral involving the inverse quadratic power of one inter-particle coordinate is obtained, and recursion relations are derived for positive powers of other coordinates. This result…
Recursion relations for Hylleraas three-electron integral are obtained in a closed form by using integration by parts identities. Numerically fast and well stable algorithm for the calculation of the integral with high powers of…
Based on a previously developed recursive approach for calculating the short-time expansion of the propagator for systems with time-independent potentials and its time-dependent generalization for simple single-particle systems, in this…
Stable recursive relations are presented for the numerical computation of the integrals $$\int d{\bf r}_1 d{\bf r}_2 r_1^{l-1} r_2^{m-1} r_{12}^{n-1} \exp{\{-\alpha r_1 -\beta r_2 -\gamma r_{12}\}}$$ ($l$, $m$ and $n$ integer, $\alpha$,…
An algorithm for calculating two-loop propagator type Feynman diagrams with arbitrary masses and external momentum is proposed. Recurrence relations allowing to express any scalar integral in terms of basic integrals are given. A minimal…
The electron repulsion integrals over the Slater-type orbitals with non-integer principal quantum numbers are considered. These integrals are useful in both non-relativistic and relativistic calculations of many-electron systems. They…
We report the three main ingredients to calculate three- and four-electron integrals over Gaussian basis functions involving Gaussian geminal operators: fundamental integrals, upper bounds, and recurrence relations. In particular, we…
In this work we propose a novel composite method for accurate calculation of the energies of many-electron atoms. The dominant contribution to the energy (pair energies) are calculated by using explicitly correlated factorisable coupled…
In this work, we generalize a recursive enumerative formula for connected Feynman diagrams with two external legs. The Feynman diagrams are defined from a fermionic gas with a two-body interaction. The generalized recurrence is valid for…
A numerical approach to compute tensor integrals in one-loop calculations is presented. The algorithm is based on a recursion relation which allows to express high rank tensor integrals as a function of lower rank ones. At each level of…
We present an efficient variational integrator for multibody systems. Variational integrators reformulate the equations of motion for multibody systems as discrete Euler-Lagrange (DEL) equations, transforming forward integration into a…
Many multi-loop calculations make use of integration by parts relations to reduce the large number of complicated Feynman integrals that arise in such calculations to a simpler basis of master integrals. Recently, Gluza, Kajda, and Kosower…