The electron correlation contribution to the nuclear magnetic shielding tensor of the hydrogen molecule
- 15 September 1995
- journal article
- Published by Elsevier in Chemical Physics Letters
- Vol. 243 (3-4) , 264-268
- https://doi.org/10.1016/0009-2614(95)00869-6
Abstract
No abstract availableKeywords
This publication has 17 references indexed in Scilit:
- Calculation of NMR chemical shifts at second-order many-body perturbation theory using gauge-including atomic orbitalsPublished by Elsevier ,2002
- The nuclear magnetic shielding and spin-rotation constants of the hydrogen moleculeChemical Physics Letters, 1995
- Gauge-invariant calculation of nuclear magnetic shielding constants at the coupled–cluster singles and doubles levelThe Journal of Chemical Physics, 1995
- GIAO-MBPT(3) and GIAO-SDQ-MBPT(4) calculations of nuclear magnetic shielding constantsChemical Physics Letters, 1994
- Fully optimized contracted Gaussian basis sets of triple zeta valence quality for atoms Li to KrThe Journal of Chemical Physics, 1994
- Effects of electron correlation in the calculation of nuclear magnetic resonance chemical shiftsThe Journal of Chemical Physics, 1993
- Configuration-interaction and Hylleraas configuration-interaction methods in valence-bond theory: Calculation of the nuclear shielding constant for the ground state of the hydrogen moleculePhysical Review A, 1992
- Fully optimized contracted Gaussian basis sets for atoms Li to KrThe Journal of Chemical Physics, 1992
- The extraction of a nuclear magnetic shielding function for the H2molecule from spin-rotation and isotope shift dataMolecular Physics, 1983
- A full coupled-cluster singles and doubles model: The inclusion of disconnected triplesThe Journal of Chemical Physics, 1982