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OverviewDirac-Hartree-Fock calculations have been carried out on the ground states of the group IV monoxides GeO, SnO and PbO. Geometries, dipole moments and infrared data are presented. For comparison, nonrelativistic, first-order perturbation and relativistic effective core potential calculations have also been carried out. Where appropriate the results are compared with the experimental data and previous calculations. Spin-orbit effects are of great importance for PbO, where first-order perturbation theory including only the mass-velocity and Darwin terms is inadequate to predict the relativistic corrections to the properties. The relativistic effective core potential results show a larger deviation from the all-electron values than for the hydrides, and confirm the conclusions drawn on the basis of the hydride calculations. Dyall, Kenneth G. Ames Research Center NASA-CR-190825, NAS 1.26:190825 NCC2-552... Full Product DetailsAuthor: National Aeronaut Administration (Nasa)Publisher: Createspace Independent Publishing Platform Imprint: Createspace Independent Publishing Platform Dimensions: Width: 21.60cm , Height: 0.20cm , Length: 27.90cm Weight: 0.115kg ISBN: 9781725077966ISBN 10: 1725077965 Pages: 38 Publication Date: 10 August 2018 Audience: General/trade , General Format: Paperback Publisher's Status: Active Availability: In Print This item will be ordered in for you from one of our suppliers. Upon receipt, we will promptly dispatch it out to you. For in store availability, please contact us. Table of ContentsReviewsAuthor InformationTab Content 6Author Website:Countries AvailableAll regions |
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