Abstract
The electron momentum distribution of 3σu orbital of carbon dioxide has been measured at high momentum resolution. Through comparation between experimental and theoretical results, the calculation by DFT-B3LYP method using 6-311 + +G* basis set is more agreement with the experimental data than other calculations.
| Original language | English (US) |
|---|---|
| Pages (from-to) | 387 |
| Number of pages | 1 |
| Journal | Chinese Journal of Chemical Physics |
| Volume | 13 |
| Issue number | 4 |
| State | Published - 2000 |
| Externally published | Yes |
Keywords
- (e, 2e) electron momentum spectroscopy
- Non-coplanar symmetric
- Triple differential cross section
ASJC Scopus subject areas
- Physical and Theoretical Chemistry
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