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On the controversial nature of the and states of trans-stilbene: The -electron valence state perturbation theory approach
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10.1063/1.3131263
/content/aip/journal/jcp/130/17/10.1063/1.3131263
http://aip.metastore.ingenta.com/content/aip/journal/jcp/130/17/10.1063/1.3131263

Figures

Image of FIG. 1.
FIG. 1.

Active orbitals involved in the description of the two lowest excited states of trans-stilbene.

Tables

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Table I.

Trans-stilbene molecule: CASSCF, state-specific (SS), and quasidegenerate (QD) NEVPT2 (SC and PC) vertical transition energies (eV) for the first two lowest excited singlet states of symmetry. Oscillator strengths within parentheses. Comparison with previously published results and with experimental data.

Generic image for table
Table II.

Trans-stilbene molecule: vertical transition energies (eV) for the first two excited singlet states of symmetry according to different density functionals on a optimized geometry. Oscillator strengths within parentheses.

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/content/aip/journal/jcp/130/17/10.1063/1.3131263
2009-05-06
2014-04-18
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752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: On the controversial nature of the 1 B1u and 2 B1u states of trans-stilbene: The n-electron valence state perturbation theory approach
http://aip.metastore.ingenta.com/content/aip/journal/jcp/130/17/10.1063/1.3131263
10.1063/1.3131263
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