Вычисление ангармонических постоянных xij многоатомной молекулы с использованием пакетов программ 'MATHEMATICA'; Перспективы развития фундаментальных наук; Т. 1 : Физика
| Parent link: | Перспективы развития фундаментальных наук=Prospects of Fundamental Sciences Development: сборник научных трудов XVI Международной конференции студентов, аспирантов и молодых ученых, г. Томск, 23-26 апреля 2019 г./ Национальный исследовательский Томский политехнический университет (ТПУ) ; под ред. И. А. Курзиной, Г. А. Вороновой.— , 2019 Т. 1 : Физика.— 2019.— [С. 211-213] |
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| Riassunto: | Заглавие с экрана With the increase of system complexity, it becomes more and more difficult to solve the problem with polyatomic molecule straightly based on the frame quantum mechanics (QM). Hence, it is useful to find an applicable method which could provide an effective way to simplify the calculation. Here we choose the vibrational perturbation theory (VPT) [1] and propose a new way to calculate the anharmonic constant of general molecules based on programm 'MATHEMATICA'. |
| Lingua: | russo |
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2019
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| Accesso online: | http://earchive.tpu.ru/handle/11683/55834 |
| Natura: | Elettronico Capitolo di libro |
| KOHA link: | https://koha.lib.tpu.ru/cgi-bin/koha/opac-detail.pl?biblionumber=629687 |
| Riassunto: | Заглавие с экрана With the increase of system complexity, it becomes more and more difficult to solve the problem with polyatomic molecule straightly based on the frame quantum mechanics (QM). Hence, it is useful to find an applicable method which could provide an effective way to simplify the calculation. Here we choose the vibrational perturbation theory (VPT) [1] and propose a new way to calculate the anharmonic constant of general molecules based on programm 'MATHEMATICA'. |
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