Az Egri Ho Si Minh Tanárképző Főiskola Tud. Közleményei. 1987. (Acta Academiae Paedagogicae Agriensis : Nova series ; Tom. 18/13)

Tamás Franczia: An analytical method for calculating multicentre integrals built up from GTF-S I

- 31 S < " [

ri>

r

2>

Sl'

S

2] d

T C33 where dr is the volume element in the configuration space of the system including the spin-co-ordinates of the electrons. The integral in (3) must be taken over the complete domain of all the variables. In the integration there is always included also a summation on the spin coordinates. [

ri » r

2> si

» s

2] is to be expressed with a linear combination of innumerable Slater-determinants of the second order built up from one-electron functions of yvCr,s:> type: 21. ^(

ri'

r2'

Sl'

S

2) = ^ CL*L (

ri'

r2'

Sl'

S

2] ' (la) 22. $ = Vix(

ri'

Sl] ViTx[

ri>

Sl) C4b) where i denotes the i-th repetitionless second-class combination of an innumerable discrete sequence of one-electron s

) functions, and the I,II indeces denote the first and the second member of the i-th combination of the y(r,s) one-electron functions