Eq. ( 12) on p. 421 is incorrect and should instead read ## 1 ~ (v~. v~,~) tsrr = -8 i J ;i; ] -~ " (1) All the results reported in the Letter were obtained using the correct expression (1). ## The missing footnote b to Table 5 on p. 425 is "This is a revised equilibrium geometry of C2H 4 repo
Nonlocal correlation functional involving the Laplacian of the density
β Scribed by E.I. Proynov; A. Vela; D.R. Salahub
- Publisher
- Elsevier Science
- Year
- 1994
- Tongue
- English
- Weight
- 885 KB
- Volume
- 230
- Category
- Article
- ISSN
- 0009-2614
No coin nor oath required. For personal study only.
π SIMILAR VOLUMES
Nonlocal contributions to the correlation energy for diatomics are studied. We find a linear dependence on the number of electrons for small molecules when considering the Thomas-Fermi model. A linear dependence of a nonlocal contribution to correlation energy of diatomics on internuclear distance i
We present in this work self-consistent density functional theory DFT calculations on atomic electron affinities performed with nonlocal exchange and a local Coulomb correlation functionals. The exchange functionals are the weighted spin-density Ε½ . Ε½ . approximation WSDA symmetrized following the i