One-electron Integrals Research Articles

Tables of Integrals Useful for the Calculations of Molecular Energies. III

Coulomb, exchange, ionic integrals and one-electron integrals which involve 2 s and 2 p orbitals have been calculated for homopolar diatomic molecules. Slater type orbitals have been used, with equal values for the exponent δ. Two-center integrals are tabulated as functions of α=δ R ( R : internuclear distance). This work completes the project of tabulation of molecular integrals of which Parts I and II were published in Proc. Phys.-Math. Soe. Japan 20 (1938), 22 (1940), Extra Nos.