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Matches in SemOpenAlex for { <https://semopenalex.org/work/W1994156968> ?p ?o ?g. }

• W1994156968 abstract "An alternative scheme for ab initio polymer band structure calculations based on a Filon-type quadrature is proposed. This scheme avoids the explicit calculation and the storage of the “troublesome” Fourier transforms of the LCAO density matrix elements and is a first step towards a better control of the convergence of the different lattice sums appearing in the configuration space LCAO-SCF-CO method. The potential of the proposed technique is illustrated by a minimal basis set calculations on an infinite chain of H atoms." @default.
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• W1994156968 date "1989-09-01" @default.
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• W1994156968 title "Potentials of an alternative scheme for ab initio polymer band structure calculations. Illustration on the chain of hydrogen atoms" @default.
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• W1994156968 doi "https://doi.org/10.1002/qua.560360317" @default.
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