A Tour of the Foundations of
Computational Chemistry and Material Science
Lecture 1: ab initio Methods



Inhomogeneity Side of Linear Algebraic Equations for Mixing Coefficients of Excited Bound Configurations

equation154

where, tex2html_wrap_inline382. The matrix elements are,

equation163

Thus,

equation173

Note, T(ab) = 0 when tex2html_wrap_inline384. Then

eqnarray184




Author: Dr. Warren Perger and Ken Flurchick