The lower electronic states of MoN
โ Scribed by Janet N. Allison; William A. Goddard III
- Publisher
- Elsevier Science
- Year
- 1983
- Tongue
- English
- Weight
- 642 KB
- Volume
- 81
- Category
- Article
- ISSN
- 0301-0104
No coin nor oath required. For personal study only.
๐ SIMILAR VOLUMES
In order to identify the ground state of CoN, we carried out calculations of multi-reference single and double excitation configuration interaction with Davidson-type correction and multi-reference coupled pair approximation (MRCPA). MRCPA predicts that 1 R รพ is the ground state of CoN. The 5 D stat
Rccsitcd 6 &xi1 19S3 ..I sccond-ordcr R~~lciph-SchrijdinSer B K method (RS BK> is described and applied to computing the lower eiectronic \tdtcs of p> rrolc. This method is more nearly size consistent than the previously used Brillouin-Wigner SK (BW BK) method. l'yrrolc KS i3~ excitation cneqics com
The electronic spectra of bipy-and bipyz-anions (bipy = 2, P'-bipyridine) have been measured between 5000 and 50 000 cnl-1. The observed bands which have intensities betweenf = 6.30 x lo-2 and f = 0.52 are assised on the basis of HMO and Parker-Parr calculations. It is well known that 2,2'-bypiridi