Configuration-interaction and Hylleraas configuration-interaction methods in valence-bond theory: Calculation of the nuclear shielding constant for the ground state of the hydrogen molecule
- 1 September 1992
- journal article
- Published by American Physical Society (APS) in Physical Review A
- Vol. 46 (5) , 2351-2355
- https://doi.org/10.1103/physreva.46.2351
Abstract
Values of the magnetic shielding constant in the ground state of the hydrogen molecule are calculated using explicitly correlated Gaussian functions. The total shielding at equilibrium amounts to 26.73 ppm.Keywords
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