Real time mixed quantum-classical dynamics with ab initio quartic force field: Application to molecular vibrational frequency analysis
| Title: | Real time mixed quantum-classical dynamics with ab initio quartic force field: Application to molecular vibrational frequency analysis |
|---|---|
| Authors: | Miyachi, Hideaki, Shigeta, Yasuteru, Hirao, Kimihiko |
| Source: | In Chemical Physics Letters 2006 432(4):585-590 |
| Database: | ScienceDirect |
| ISSN: | 00092614 |
|---|---|
| DOI: | 10.1016/j.cplett.2006.10.087 |
| Published in: | Chemical Physics Letters |
| Language: | English |