| ชื่อเรื่อง | : | Full-dimensional quantum calculations of the vibrational states of H5+ |
| นักวิจัย | : | Song, Hongwei , Lee, Soo-Ying , Yang, Minghui , Lu, Yunpeng |
| คำค้น | : | DRNTU::Science::Physics. |
| หน่วยงาน | : | Nanyang Technological University, Singapore |
| ผู้ร่วมงาน | : | - |
| ปีพิมพ์ | : | 2556 |
| อ้างอิง | : | Song, H., Lee, S. Y., Yang, M., & Lu, Y. (2013). Full-dimensional quantum calculations of the vibrational states of H5+. The Journal of Chemical Physics, 138(12). , http://hdl.handle.net/10220/10000 , http://dx.doi.org/10.1063/1.4797464 |
| ที่มา | : | - |
| ความเชี่ยวชาญ | : | - |
| ความสัมพันธ์ | : | The journal of chemical physics |
| ขอบเขตของเนื้อหา | : | - |
| บทคัดย่อ/คำอธิบาย | : | Full-dimensional quantum calculations of the vibrational states of H5+ have been performed on the accurate potential energy surface developed by Xie et al. [J. Chem. Phys. 122, 224307 (2005)]. The zero point energies of H5+, H4D+, D4H+, and D5+ and their ground-state geometries are presented and compared with earlier theoretical results. The first 10 low-lying excited states of H5+ are assigned to the fundamental, overtone, and combination of the H2–H3+ stretch, the shared proton hopping and the out-of-plane torsion. The ground-state torsional tunneling splitting, the fundamental of the photon hopping mode and the first overtone of the torsion mode are 87.3 cm −1, 354.4 cm −1, and 444.0 cm −1, respectively. All of these values agree well with the diffusion Monte Carlo and multi-configuration time-dependent Hartree results where available. |
| บรรณานุกรม | : |
Song, Hongwei , Lee, Soo-Ying , Yang, Minghui , Lu, Yunpeng . (2556). Full-dimensional quantum calculations of the vibrational states of H5+.
กรุงเทพมหานคร : Nanyang Technological University, Singapore. Song, Hongwei , Lee, Soo-Ying , Yang, Minghui , Lu, Yunpeng . 2556. "Full-dimensional quantum calculations of the vibrational states of H5+".
กรุงเทพมหานคร : Nanyang Technological University, Singapore. Song, Hongwei , Lee, Soo-Ying , Yang, Minghui , Lu, Yunpeng . "Full-dimensional quantum calculations of the vibrational states of H5+."
กรุงเทพมหานคร : Nanyang Technological University, Singapore, 2556. Print. Song, Hongwei , Lee, Soo-Ying , Yang, Minghui , Lu, Yunpeng . Full-dimensional quantum calculations of the vibrational states of H5+. กรุงเทพมหานคร : Nanyang Technological University, Singapore; 2556.
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