Using a basis set of atomic natural orbitals of valence triple-zeta plus double polarization quality, the core-electron binding energies (CEBEs) ofHF, H20, N2 and CO were computed by the deMon density-functional program with a combined functional of Becke's exchange (B88 ) with Perdew's correlation
β¦ LIBER β¦
Accurate calculation of core-electron binding energies: Multireference perturbation treatment
β Scribed by Shirai, Soichi; Yamamoto, Satoru; Hyodo, Shi-aki
- Book ID
- 111986693
- Publisher
- American Institute of Physics
- Year
- 2004
- Tongue
- English
- Weight
- 340 KB
- Volume
- 121
- Category
- Article
- ISSN
- 0021-9606
No coin nor oath required. For personal study only.
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