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117. ONE ELECTRON II: One-Electron Integrals between
Slater-Type Orbitals
by Peter O'D. Offenhartz, University of Colorado, Boulder, Colorado 80309 Program calculates overlap integrals and other one- electron integrals between Slater-type orbitals. These include kinetic energy, both nuclear attractions, dipole moment, and quadrupole moment. There are no restrictions on the principal quantum number. Only s, p and d functions may be used. The program is suitable for use on a small computer. FORTRAN II Lines of Code: 375 Recommended Citation: P. O'D. Offenhartz, QCPE 11, 117 (1968). |