Wen Zhenyi, Wang Yubin, Du Qishi. Determination of the Loop Shapes in the External Space in the Large-Scale CI-Calculations[J]. Chinese Journal of Chemical Physics , 1990, 3(1): 41-48.
Citation:
Wen Zhenyi, Wang Yubin, Du Qishi. Determination of the Loop Shapes in the External Space in the Large-Scale CI-Calculations[J]. Chinese Journal of Chemical Physics , 1990, 3(1): 41-48.
Wen Zhenyi, Wang Yubin, Du Qishi. Determination of the Loop Shapes in the External Space in the Large-Scale CI-Calculations[J]. Chinese Journal of Chemical Physics , 1990, 3(1): 41-48.
Citation:
Wen Zhenyi, Wang Yubin, Du Qishi. Determination of the Loop Shapes in the External Space in the Large-Scale CI-Calculations[J]. Chinese Journal of Chemical Physics , 1990, 3(1): 41-48.
Determination of the Loop Shapes in the External Space in the Large-Scale CI-Calculations
In this paper all loop shapes in the external space and their contributions to Hamiltonian matrix clements, which are needed in the large—scale CI calculations, are derived and tabulated. Relations between direct and exchange loops are taken into account and the number of loop shapes given in this paper is much less than the number given by others.
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