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The cooperative Jahn-Teller effect and paramagnetic susceptibility of S = 1 systems

✍ Scribed by Z. Z̊olnierek


Publisher
Elsevier Science
Year
1978
Tongue
English
Weight
317 KB
Volume
26
Category
Article
ISSN
0038-1098

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✍ John H. Kiefer; Robert S. Tranter; Hai Wang; Albert F. Wagner 📂 Article 📅 2001 🏛 John Wiley and Sons 🌐 English ⚖ 184 KB

## Abstract We report CASSCF/cc‐PVDZ calculations of the potential surface for the title Jahn–Teller molecule. Energies are calculated along all normal coordinates that can be affected by Jahn–Teller distortion. Both the __E__′~2~ in‐plane bend and stretch modes are found to be involved, but the be