Gaussian boson sampling of ozone: Vibronic structure of the Wulf band and intersystem crossing rate; Chemical Physics Letters; Vol. 887
| Parent link: | Chemical Physics Letters.— .— Amsterdam: Elsevier Science Publishing Company Inc. Vol. 887.— 2026.— Article number 142658, 5 p. |
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| מחברים אחרים: | , , , , , |
| סיכום: | 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 |
| שפה: | אנגלית |
| יצא לאור: |
2026
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| נושאים: | |
| גישה מקוונת: | https://doi.org/10.1016/j.cplett.2026.142658 |
| פורמט: | אלקטרוני Book Chapter |
| KOHA link: | https://koha.lib.tpu.ru/cgi-bin/koha/opac-detail.pl?biblionumber=686429 |
MARC
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| 200 | 1 | |a Gaussian boson sampling of ozone: Vibronic structure of the Wulf band and intersystem crossing rate |f K. Khoroshkin, R. Valiyev, L. I. Valiulina [et al.] | |
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| 330 | |a 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 | ||
| 336 | |a Текстовый файл | ||
| 371 | 0 | |a AM_Agreement | |
| 461 | 1 | |t Chemical Physics Letters |c Amsterdam |n Elsevier Science Publishing Company Inc. | |
| 463 | 1 | |t Vol. 887 |v Article number 142658, 5 p. |d 2026 | |
| 610 | 1 | |a электронный ресурс | |
| 610 | 1 | |a труды учёных ТПУ | |
| 610 | 1 | |a Gaussian boson sampling | |
| 610 | 1 | |a Vibronic spectrum | |
| 610 | 1 | |a Quantum optics | |
| 610 | 1 | |a Intersystem crossing rate constant | |
| 701 | 1 | |a Khoroshkin |b K. | |
| 701 | 1 | |a Valiev |b R. R. |c chemist |c Assistant of Tomsk Polytechnic University |f 1983- |g Rashid Rinatovich |9 17654 | |
| 701 | 1 | |a Valiulina |b L. I. |g Lenara Ilmirovna | |
| 701 | 1 | |a Cherepanov |b V. N. |g Viktor Nikolaevich | |
| 701 | 1 | |a Filippova |b E. O. |c physicist |c Professor of Tomsk Polytechnic University, Doctor of Technical Sciences |f 1988- |g Ekaterina Olegovna |9 20053 | |
| 701 | 1 | |a Merzlikin |b B. S. |c mathematician |c research engineer, Senior Lecturer of Tomsk Polytechnic University, candidate of physico-mathematical Sciences |f 1987- |g Boris Sergeevich |9 15163 | |
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