Computational tests of the coupled states angular momentum decoupling approximation for NMR spin–lattice relaxation cross sections
- 1 July 1977
- journal article
- research article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 67 (1) , 225-228
- https://doi.org/10.1063/1.434546
Abstract
Recently, Goldflam and Kouri have derived coupled states (CS) expressions for NMR spin–lattice relaxation effective cross sections. In this paper we report computational tests of these expressions for CO, HD, and HCl, each in a He bath, and make comparisons with accurate close coupling (CC) results. The agreement in general is excellent, indicating that the CS method can be used to accurately predict such reorientation effects as occur in spin–lattice relaxation.Keywords
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