(Throughout this Letter, unless otherwise noted, we will follow the convention that integrals
are over all space.) Minimizing Eq.(3) subject to Eq.(4), however, poses some irritating …

This result for MA can further be slightly reduced by finding only those transformed integrals
for which m> p or m= p and n⩾ q. This saves roughly half the MA of the second‐half …

Theorems are derived which establish a method of approximating two‐particle Coulombic
potential energy integrals,[φ a (1) r 12− 1| φ b (2)], in terms of approximate charge densities …

Straightforward theoretical calculation for molecular systems using eigenfunctions built up
from atomic orbitals and employing actual and approximate methods for the evaluation of …

Methods for calculations on extended systems are proposed, in which long‐range
Coulombic interactions are treated classically. The basic mode of description for the system …

A method to compute two-electron integrals over arbitrary regions of space is introduced and
particularized to the basins appearing in the quantum theory of atoms in molecules. The …

We derive a number of inequalities which must be satisfied by the interelectron repulsion
integral occurring in quantum mechanical calculations. These inequalities are valide for any …

10 Five years ago, Dr. R. Pariser (unpublished work) suggested that a rationalization of the
low electronic repulsion integrals in the Pariser· Parr semiempirical pi-electron theory,] …

, & (r1,..., rne)= bound ne~ eCtro11molecular wave The electron—molecule static interaction
potential function, is of central importance to calculations of cross sections forelectron …

In a seminal paper in this journal, King has published a detailed discussion of atomic
integrals containing explicit rij factors, entitled ''Analysis of some integrals arising in the …