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Excitation spectrum of an antiferromagnetic film with a non-uniform ground state

✍ Scribed by Trallori, L; Politi, P; Rettori, A; Pini, M G


Book ID
121206214
Publisher
Institute of Physics
Year
1995
Tongue
English
Weight
783 KB
Volume
7
Category
Article
ISSN
0953-8984

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An ab initio study of the ground and fir
✍ B. Gazdy; D.G. Musaev; J.M. Bowman; K. Morokuma πŸ“‚ Article πŸ“… 1995 πŸ› Elsevier Science 🌐 English βš– 397 KB

We report ab initio calculations of the minima and transition states of the HCN ~ HNC isomerization in the X(P~) and A(/~') electronic states, and the A-X transition moment in the neighborhood of the HNC isomer. The HNC(A) potential is fit to a fourth-order Simons-Parr-Finlan force field, and the nu