Effect of a uniform electric field on the electronic states of the Mg porphyrin dimers

Valery A. Kuzmitsky; Vladimir I. Gael

doi:10.1117/12.197427

2 January 1995 Effect of a uniform electric field on the electronic states of the Mg porphyrin dimers

Valery A. Kuzmitsky, Vladimir I. Gael

Proceedings Volume 2370, 5th International Conference on Laser Applications in Life Sciences; (1995) https://doi.org/10.1117/12.197427
Event: Laser Applications in Life Sciences: 5th International Conference, 1994, Minsk, Belarus

Abstract

Fragment method was used to carry out quantum chemical calculations on the Mg porphin dimers placed in a uniform electric field (epsilon) . For the two structures considered, of the D_4h and D_4d symmetry, the field lay in the C₄ axis; its magnitude was varied from 0.0005 to 0.1 a.u. It has been shown that the action of the electric field causes qualitative changes in the structure of the excited states of the dimers. In particular, the forbidden component of the Q state effectively mixes with the charge transfer states and at (epsilon) > 0.0025 a.u. the charge transfer level is the lowest excited one.

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Valery A. Kuzmitsky and Vladimir I. Gael "Effect of a uniform electric field on the electronic states of the Mg porphyrin dimers", Proc. SPIE 2370, 5th International Conference on Laser Applications in Life Sciences, (2 January 1995); https://doi.org/10.1117/12.197427

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