dorsal/arxiv
View SchemaA New Approach to Analyse $H\otimes (2h\oplus g)$ Jahn-Teller System for $C_{60}$
| Authors | Ramazan Koc, Hayriye Tutunculer, Mehmet Koca |
|---|---|
| Categories | |
| ArXiv ID | physics/0511125 |
| URL | https://arxiv.org/abs/physics/0511125 |
| DOI | 10.1007/s100530070007 |
| Journal | Eur. Phys. J. D 12, (2000), 467-472 |
Abstract
It is now well known that electron (hole)-vibron coupling and hence Jahn-Teller (JT) effect is important understanding the properties of $C_{60}$ and related molecules. In this paper, we study $H\otimes (2h\oplus g)$ coupling case to find the potential energy surfaces for the positively charged $C_{60}$ molecule due to distortion. The $H\otimes (2h\oplus g)$ Jahn-Teller system is of particular importance as this will be the JT effect displayed by $C_{60}$ molecules removed with an electron. $C_{60}^{+}$ is obtained by removing one electron from fivefold degenerate Hu highest occupied molecular orbital (HOMO) and a hole in HOMO interacts with the vibrational modes of $C_{60}$ and symmetry is broken. We apply the method of symmetry breaking mechanism to obtain expressions for the potential energy surface.
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"abstract": "It is now well known that electron (hole)-vibron coupling and hence\nJahn-Teller (JT) effect is important understanding the properties of $C_{60}$\nand related molecules. In this paper, we study $H\\otimes (2h\\oplus g)$ coupling\ncase to find the potential energy surfaces for the positively charged $C_{60}$\nmolecule due to distortion. The $H\\otimes (2h\\oplus g)$ Jahn-Teller system is\nof particular importance as this will be the JT effect displayed by $C_{60}$\nmolecules removed with an electron. $C_{60}^{+}$ is obtained by removing one\nelectron from fivefold degenerate Hu highest occupied molecular orbital (HOMO)\nand a hole in HOMO interacts with the vibrational modes of $C_{60}$ and\nsymmetry is broken. We apply the method of symmetry breaking mechanism to\nobtain expressions for the potential energy surface.",
"arxiv_id": "physics/0511125",
"authors": [
"Ramazan Koc",
"Hayriye Tutunculer",
"Mehmet Koca"
],
"categories": [
"physics.chem-ph",
"quant-ph"
],
"doi": "10.1007/s100530070007",
"journal_ref": "Eur. Phys. J. D 12, (2000), 467-472",
"title": "A New Approach to Analyse $H\\otimes (2h\\oplus g)$ Jahn-Teller System for $C_{60}$",
"url": "https://arxiv.org/abs/physics/0511125"
},
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