A thorough investlgatlon ot the proper scheme to correct for basis set superpositlon errors is performed for the He dimer withm the CEPA(1) method. The BSSE proves. even for this small system, extremely difficult to avoid, and it is m no way negligible. Through comparison wth perturbation-theory est
✦ LIBER ✦
Systematic Study of the Basis Set Superposition Error in Core–Electron Correlation Effects
✍ Scribed by Schwabe, Tobias
- Book ID
- 119997297
- Publisher
- American Chemical Society
- Year
- 2013
- Tongue
- English
- Weight
- 200 KB
- Volume
- 117
- Category
- Article
- ISSN
- 1089-5639
No coin nor oath required. For personal study only.
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