### Abstract

Conical intersections of the 2 ^{2}E′ and 1 ^{2}A′_{1} states of Li_{3} are considered as a first step in the description of the excited state involved in the absorption at 14583 cm^{-1}. Quite novel results are obtained. In addition to the standard symmetry-required D_{3h} seam of conical intersection, C_{2v} symmetry-allowed seams are found and their locus determined as a function the symmetric stretch coordinate. The C_{2v} seams of conical intersection intersect the D_{3h} conical intersection seam at two distinct points producing two heptafurcations of the D_{3h} seam. The locus of the C_{2v} conical intersection points is explained in terms of a quadratic Jahn-Teller model. The overall geometric phase effect associated with the D_{3h} and C_{2v} conical intersections is well described using a previously suggested phase factor deduced from molecular properties. In addition to these conical intersections an intersection of the 1 ^{2}A′_{1} and 2 ^{2}E′ is states is located.

Original language | English (US) |
---|---|

Pages (from-to) | 3639-3642 |

Number of pages | 4 |

Journal | Journal of Chemical Physics |

Volume | 110 |

Issue number | 8 |

State | Published - Feb 22 1999 |

Externally published | Yes |

### Fingerprint

### ASJC Scopus subject areas

- Atomic and Molecular Physics, and Optics

### Cite this

_{3}.

*Journal of Chemical Physics*,

*110*(8), 3639-3642.

**Unusual conical intersections in the Jahn-Teller effect : The electronically excited states of Li _{3}.** / Sadygov, Rovshan; Yarkony, David R.

Research output: Contribution to journal › Article

_{3}',

*Journal of Chemical Physics*, vol. 110, no. 8, pp. 3639-3642.

_{3}. Journal of Chemical Physics. 1999 Feb 22;110(8):3639-3642.

}

TY - JOUR

T1 - Unusual conical intersections in the Jahn-Teller effect

T2 - The electronically excited states of Li3

AU - Sadygov, Rovshan

AU - Yarkony, David R.

PY - 1999/2/22

Y1 - 1999/2/22

N2 - Conical intersections of the 2 2E′ and 1 2A′1 states of Li3 are considered as a first step in the description of the excited state involved in the absorption at 14583 cm-1. Quite novel results are obtained. In addition to the standard symmetry-required D3h seam of conical intersection, C2v symmetry-allowed seams are found and their locus determined as a function the symmetric stretch coordinate. The C2v seams of conical intersection intersect the D3h conical intersection seam at two distinct points producing two heptafurcations of the D3h seam. The locus of the C2v conical intersection points is explained in terms of a quadratic Jahn-Teller model. The overall geometric phase effect associated with the D3h and C2v conical intersections is well described using a previously suggested phase factor deduced from molecular properties. In addition to these conical intersections an intersection of the 1 2A′1 and 2 2E′ is states is located.

AB - Conical intersections of the 2 2E′ and 1 2A′1 states of Li3 are considered as a first step in the description of the excited state involved in the absorption at 14583 cm-1. Quite novel results are obtained. In addition to the standard symmetry-required D3h seam of conical intersection, C2v symmetry-allowed seams are found and their locus determined as a function the symmetric stretch coordinate. The C2v seams of conical intersection intersect the D3h conical intersection seam at two distinct points producing two heptafurcations of the D3h seam. The locus of the C2v conical intersection points is explained in terms of a quadratic Jahn-Teller model. The overall geometric phase effect associated with the D3h and C2v conical intersections is well described using a previously suggested phase factor deduced from molecular properties. In addition to these conical intersections an intersection of the 1 2A′1 and 2 2E′ is states is located.

UR - http://www.scopus.com/inward/record.url?scp=0001428647&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=0001428647&partnerID=8YFLogxK

M3 - Article

AN - SCOPUS:0001428647

VL - 110

SP - 3639

EP - 3642

JO - Journal of Chemical Physics

JF - Journal of Chemical Physics

SN - 0021-9606

IS - 8

ER -