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118. ONE ELECTRON IV: One-Electron Integrals between
Linear Combinations of Slater-Type Orbitals
by Peter O'D. Offenhartz, University of Colorado, Boulder, Colorado 80309 Program calculates overlap integrals and other one- electron integrals between linear combinations of Slater-type orbitals. The integrals 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 medium-size computer. NOTE: This program can be operated on an IBM 1620 with 40 Kb memory or a larger machine. FORTRAN IV Lines of Code: 405 Recommended Citation: P.O'D. Offenhartz, QCPE 11, 118 (1968). |