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THE EVALUATION OF OVERLAP INTEGRALS BETWEEN ARBITRARILY ORIENTED ATOMIC ORBITALS,
BOEING SCIENTIFIC RESEARCH LABS SEATTLE WASH
Formulas are presented for overlap integrals be tween atomic orbitals which are arbitrarily oriented. Two cases are discussed s and p orbitals located on centers at any specified positions with the p orbitals oriented in any direction in space, and s and p orbitals located on centers at any specified positions with the p orbitals oriented along the x, y, or z axes. Only s and p orbitals are discussed and it is assumed that the values of sigma and pi type overlap integrals are known from tables or com puter programs. Author
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