Two-Center Integrals for r_{ij}^{n} Polynomial Correlated Wave Functions

TL;DR

This paper derives all necessary integrals for evaluating polynomial-based correlated wave functions, expressing them as products of at most four-electron integrals, facilitating advanced quantum chemical calculations.

Contribution

It provides a complete set of integral formulas for polynomial correlated wave functions, enabling more efficient computational methods in quantum chemistry.

Findings

All required integrals are expressed as products of at most four-electron integrals.

The integral formulas streamline calculations for polynomial correlated wave functions.

The approach enhances computational efficiency in quantum chemical simulations.

Abstract

All integrals needed to evaluate the correlated wave functions with polynomial terms of inter-electronic distance are included. For this form of the wave function, the integrals needed can be expressed as a product of integrals involving at most four electrons.