J. Stein, N. Sahoo, S. B. Sulaiman, T. P. Das: Theory of Cu-63 nuclear quadrupole interaction in cuprite, Hyperfine Interact. 60 (1990) 849
The nuclear quadrupole interaction of Cu-63 in Cu2O has been studied by the first-principles Hartree-Fock cluster procedure. The influence of the ions outside the cluster has been incorporated explicitly in the Hamiltonian. The results are compared with results from experiment, ionic models, and other approaches.