## Hat-tree-Fock ulclllatlons on susceptibltles and nuclear magnetic shleldmg constants have been performed for (HI3 and (H20j2 The apphcatlon of the completeness rektlon m choosing a "best gauge" is a valuable ald but vekf large basis sets must be used to come close to the Htiree-Fock hnut Interm
β¦ LIBER β¦
1H nuclear magnetic resonance studies of Hf2RhH2.2 and Hf2CoH3.8: Structure and diffusion
β Scribed by T.C Jones; T.K Halstead; K.H.J Buschow
- Book ID
- 116013769
- Publisher
- Elsevier Science
- Year
- 1980
- Weight
- 659 KB
- Volume
- 73
- Category
- Article
- ISSN
- 0022-5088
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In this work we studied the collinear F(\*P,$ + Hz system in a strong CO2 laser field. It was found that the tiajecror) surface hopping method (TSHM) yields entirely different results than the exact quantum-mechanical treatment. A curvecrossing model was devised to esplain the discrepancy.