%0 Journal Article
%A Scott, T. C.
%A Aubert-Frécon, M.
%A Andrae, D.
%A Grotendorst, J.
%A Morgan III, J. D.
%A Glasser, M. L.
%T Exchange Energy for Two-Active-Electron Diatomic Systems Within the Surface Integral Method
%J Applicable algebra in engineering, communication and computing
%V 15
%@ 0938-1279
%C Berlin
%I Springer
%M PreJuSER-41804
%P 101 - 128
%D 2004
%Z Record converted from VDB: 12.11.2012
%X We have analyzed and reduced a general (quantum-mechanical) expression for the atom-atom exchange energy formulated as a five-dimensional surface integral, which arises in studying the charge exchange processes in diatomic molecules. It is shown that this five-dimensional surface integral can be decoupled into a three-dimensional integral and a two-dimensional angular integral which can be solved analytically using a special decomposition. Exact solutions of the two-dimensional angular integrals are presented and generalized. Algebraic aspects, invariance properties and exact solutions of integrals involving Legendre and Chebyshev polynomials are also discussed.
%K J (WoSType)
%F PUB:(DE-HGF)16
%9 Journal Article
%U <Go to ISI:>//WOS:000224435700002
%R 10.1007/s00200-004-0156-6
%U https://juser.fz-juelich.de/record/41804