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- W2081417476 abstract "The one-dimensional integral representation for the Fourier transform of a two-centre product of B functions (finite linear combinations of Slater orbitals) with real parameters is generalized to include B functions with complex parameters. This one-dimensional integral representation allows for an efficient method of calculating two-centre exchange integrals with plane-wave electronic translational factors (ETF) over Slater orbitals of real/complex exponents. This method is a significant improvement on the previous two-dimensional quadrature method of the integrals. A new basis set of the form is proposed to improve the description of pseudo-continuum states in the close-coupling treatment of ion - atom collisions." @default.
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- W2081417476 date "1996-12-28" @default.
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- W2081417476 title "Two-centre exchange integrals for complex exponent Slater orbitals" @default.
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- W2081417476 doi "https://doi.org/10.1088/0953-4075/29/24/005" @default.
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