𝔖 Bobbio Scriptorium
✦   LIBER   ✦

The pseudo-Jahn—Teller effect: a CASSCF diagnostic

✍ Scribed by BEARPARK, MICHAEL J.; BLANCAFORT, LUIS; ROBB, MICHAEL A.

Book ID
120997608
Publisher
Taylor and Francis Group
Year
2002
Tongue
English
Weight
474 KB
Volume
100
Category
Article
ISSN
0026-8976

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Combined Jahn—Teller and pseudo-Jahn—Tel
Combined Jahn—Teller and pseudo-Jahn—Teller effects in the P+4 cation
✍ R. Meiswinkel; H. Köppel 📂 Article 📅 1993 🏛 Elsevier Science 🌐 English ⚖ 663 KB

We analyze a combined (T+E)@ (r+s) Jahn-Teller plus pseudo-Jahn-Teller effect for the 'E ground state and the 'Tr first excited state in the P: cation. Ab initio SCF calculations point towards a significant interaction between the two states which are themselves subject to Jahn-Teller couplings. The

On the Jahn–Teller and pseudo-Jahn–Telle
On the Jahn–Teller and pseudo-Jahn–Teller effects in the photoelectron spectrum of cyclopropane
✍ T.S. Venkatesan; S. Mahapatra; H. Köppel; L.S. Cederbaum 📂 Article 📅 2007 🏛 Elsevier Science 🌐 English ⚖ 399 KB

We present a theoretical account of the Jahn-Teller (JT) and pseudo-Jahn-Teller (PJT) effects in the photoelectron spectrum of cyclopropane. The PJT interactions between the two JT split X 2 E 0 and Ã2 E 00 electronic states of the cyclopropane radical cation are examined. Nuclear dynamical simulati