Nuclear-electron attraction energy for a given atomic species

Definition:

A - given atomic species

B - other atoms

P - density matrix elements over atomic basis {mn}

Z_B - charge of atomic nucleus, B

R_iB - distance between the electron and atomic nucleus, B

 - electron-nuclear attraction integrals on atomic basis {mn}

Reference:

1. E. Clementi, Computational Aspects of Large Chemical Systems, Springer Verlag, New York, 1980