The preferred structures and dissociation energies of Be4 and Be13 am determined by ab initio methods, including Meller-Plesset perturbation theory, coupied-eluster theory, and multireference CL Both species serve as calibration points for basis set extension and efectron correlation effects. The re
✦ LIBER ✦
Effects of the basis set and of the exchange–correlation functional on the Inelastic Electron Tunneling signatures of 1,4-benzenedithiol
✍ Scribed by Ségerie, Audrey; Lin, Li-Li; Liégeois, Vincent; Luo, Yi; Champagne, Benoît
- Book ID
- 122824833
- Publisher
- Elsevier Science
- Year
- 2014
- Tongue
- English
- Weight
- 866 KB
- Volume
- 119
- Category
- Article
- ISSN
- 1386-1425
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