Analytical presentation of symmetrized vibrational functions of high symmetry molecules for applications in molecular spectroscopy and chemical physics: Accurate prediction of the vibrational spectrum of GeH4 up to 8000 cm−1 as a relevant application example; Journal of Quantitative Spectroscopy and Radiative Transfer; Vol. 321
| Parent link: | Journal of Quantitative Spectroscopy and Radiative Transfer.— .— Amsterdam: Elsevier Science Publishing Company Inc. Vol. 321.— 2024.— Article number 108997, 8 p. |
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| 企業作者: | |
| 其他作者: | , , , , |
| 總結: | Title screen We report here the analytical description of vibrational wave functions being most important for applications in quantum mechanics, molecular and chemical physics as applied to the high symmetry XY4 (𝑇𝑑) molecules. A general method is discussed and, for the first time, all vibrational functions of such molecule type are presented in an analytical and symmetrized form for all polyads up to the polyad number 𝑁=4. To illustrate the relevant application of the derived results, an accurate prediction of all vibrational band centers up to 8000 cm−1 is made for five stable isotopologues 𝑀GeH4 (𝑀=76,74,73,72,70) of the germane molecule Текстовый файл AM_Agreement |
| 語言: | 英语 |
| 出版: |
2024
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| 主題: | |
| 在線閱讀: | https://doi.org/10.1016/j.jqsrt.2024.108997 |
| 格式: | 電子 Book Chapter |
| KOHA link: | https://koha.lib.tpu.ru/cgi-bin/koha/opac-detail.pl?biblionumber=672409 |
| 總結: | Title screen We report here the analytical description of vibrational wave functions being most important for applications in quantum mechanics, molecular and chemical physics as applied to the high symmetry XY4 (𝑇𝑑) molecules. A general method is discussed and, for the first time, all vibrational functions of such molecule type are presented in an analytical and symmetrized form for all polyads up to the polyad number 𝑁=4. To illustrate the relevant application of the derived results, an accurate prediction of all vibrational band centers up to 8000 cm−1 is made for five stable isotopologues 𝑀GeH4 (𝑀=76,74,73,72,70) of the germane molecule Текстовый файл AM_Agreement |
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| DOI: | 10.1016/j.jqsrt.2024.108997 |