The electron correlation contribution to
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Dage Sundholm; JΓΌrgen Gauss; Reinhart Ahlrichs
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Article
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1995
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Elsevier Science
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English
β 327 KB
The nuclear magnetic shielding tensor and the spin-rotation constant of the hydrogen molecule have been studied at the full configuration interaction level using a sequence of systematically enlarged basis sets which allow extrapolation to the basis set limit. The computed and experimental values fo