Improving the accuracy of GIPAW chemical shielding calculations with cluster and fragment corrections
Joshua D. Hartman, James K. Harper
Topics & Concepts
ChemistryIntermolecular forceCluster (spacecraft)Tensor (intrinsic definition)Chemical shiftBenchmark (surveying)Range (aeronautics)GaussianCoupled clusterMoleculeStatistical physicsComputational chemistryComputer sciencePhysicsPhysical chemistryGeographyPure mathematicsComposite materialOrganic chemistryGeodesyProgramming languageMathematicsMaterials scienceAdvanced NMR Techniques and ApplicationsNMR spectroscopy and applicationsQuantum, superfluid, helium dynamics