Gaussian boson sampling of ozone: Vibronic structure of the Wulf band and intersystem crossing rate; Chemical Physics Letters; Vol. 887

Bibliographic Details
Parent link:	Chemical Physics Letters.— .— Amsterdam: Elsevier Science Publishing Company Inc. Vol. 887.— 2026.— Article number 142658, 5 p.
Other Authors:	Khoroshkin K., Valiev R. R. Rashid Rinatovich, Valiulina L. I. Lenara Ilmirovna, Cherepanov V. N. Viktor Nikolaevich, Filippova E. O. Ekaterina Olegovna, Merzlikin B. S. Boris Sergeevich
Summary:	Title screen Gaussian Boson Sampling (GBS) was applied to describe photophysics of ozone. One million Franck–Condon configurations were generated to model the Wulf-band vibronic progression and to compute the intersystem crossing rate constant. The calculated value of ranges from 109 to 1010 s−1 depending on the approach used. Although ozone has an unusually large vibrational frequency ratio between the initial and final electronic states and non-negligible Duschinsky rotation, neglecting both effects in the linear-coupled approximation yields nearly identical results. The study demonstrates that GBS can yield accurate vibronic spectra and ISC rate constants at a computational cost inaccessible to classical summations Текстовый файл AM_Agreement
Language:	English
Published:	2026
Subjects:	электронный ресурс труды учёных ТПУ Gaussian boson sampling Vibronic spectrum Quantum optics Intersystem crossing rate constant
Online Access:	https://doi.org/10.1016/j.cplett.2026.142658
Format:	Electronic Book Chapter
KOHA link:	https://koha.lib.tpu.ru/cgi-bin/koha/opac-detail.pl?biblionumber=686429

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