Molecular dipole moments (MDM) of 32 molecules calculated with density functional (DFT) and Hartree-Fock (HF) methods are compared and analyzed. We found that calculations with DFT using a DZVPD (double-zeta plus polarization in valence orbitals and diffuse d functions on heavy atoms) basis set curr
Local moments, electron correlation and density functional theory
β Scribed by J. C. Stoddart; N. H. March; D. Wiid
- Publisher
- John Wiley and Sons
- Year
- 2009
- Tongue
- English
- Weight
- 641 KB
- Volume
- 5
- Category
- Article
- ISSN
- 0020-7608
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π SIMILAR VOLUMES
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