Accession Number : AD0412896
Title : THE EVALUATION OF OVERLAP INTEGRALS BETWEEN ARBITRARILY ORIENTED ATOMIC ORBITALS,
Corporate Author : BOEING SCIENTIFIC RESEARCH LABS SEATTLE WASH
Personal Author(s) : Moore,Emmett B.
Report Date : MAY 1963
Pagination or Media Count : 11
Abstract : 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)
Descriptors : (*ATOMIC ORBITALS, INTEGRALS), MOLECULAR STRUCTURE, CRYSTAL STRUCTURE.
Distribution Statement : APPROVED FOR PUBLIC RELEASE