https://libeldoc.bsuir.by/handle/123456789/33083| Title: | Novosadov’s method of molecular harmonics research for quantum mechanics computer modeling |
| Authors: | Douhaya, Y. |
| Keywords: | материалы конференций;Novosadov’s method;computer modeling |
| Issue Date: | 2013 |
| Publisher: | БГУИР |
| Citation: | Douhaya, Y. Novosadov’s method of molecular harmonics research for quantum mechanics computer modeling / Y. Douhaya // Nano-Design, Technology, Computer Simulation — NDTCS ’ 2013: proceedings of the 15th International Workshop on New Approaches to High-Tech, Minsk, June 11–15, 2013 / Belarusian State University of Informatics and Radioelectronics ; ed.: A. Melker, V. Nelayev, V. Stempitsky. – Minsk, 2013. – P. 112–114. |
| Abstract: | Analytical solving of single-electron Schrцdinger equation in Columb multi-nuclear field proposed by Novosadov results with molecular orbitals represented as linear sum of hydrogen like orbitals centered in atom cores. Author research a possibility of Novosadovs method application for modeling of atoms and molecular systems. Results of calculations of H2+ electron density and interaction energy dependence on distance for H-H, C-C and metan- ch4 are represented. |
| URI: | https://libeldoc.bsuir.by/handle/123456789/33083 |
| Appears in Collections: | NDTCS 2013 |
| File | Description | Size | Format | |
|---|---|---|---|---|
| Douhaya_Novosadov’s.pdf | 137.35 kB | Adobe PDF | View/Open |
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