A combination of pseudopotentials and density functionals: Results for Linum+ and Knm+ clusters (n ≤ 4; m = 0, 1)
References (46)
- et al.
Surface Sci.
(1977) - et al.
J. Mol. Cat.
(1975) - et al.
Chem. Phys. Letters
(1981) - et al.
Mol. Phys.
(1977) - et al.
Intern. J. Quantum Chem.
(1981) - et al.(1980)
J. Phys.
(1982)b L. von Szentpály, P. Fuentealba, H. Preuss and H. Stoll, to be...- et al.
Can. J. Phys.
(1980)et al.Phys. Rev.
(1980) - et al.
J. Chem. Phys.
(1978) - et al.
Mol. Phys.
(1977)
Mol. Phys.
(1978)
J. Chem. Phys.
(1976)
Phys. Stat. Sol.
(1972)
J. Chem. Phys.
(1981)
Phys. Rev.
(1978)
J. Chem. Phys.
(1975)
et al.J. Chem. Phys.
(1976)
J. Chem. Phys.
(1979)
Inorg. Chem.
(1975)
J. Chem. Phys.
(1978)
Advan. Phys.
(1967)
et al.J. Phys.
(1969)
J. Chem. Phys.
(1978)
Chem. Phys. Letters
(1981)
Mol. Phys.
(1976)
et al.Mol. Phys.
(1980)
et al.J. Chem. Phys.
(1981)
J. Chem. Phys.
(1979)
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2013, Surface ScienceCitation Excerpt :We find a = 4.45 Å̊ and b being 4.16 Å̊. A similar difference has also been reported in some earlier studies [21,17,41], whereas others studies have found a = b [14,15,19]. The transition from 2D to 3D occur at K 6, which is predicted to have pentagonal pyramidal structure with C5v symmetry in agreement with the result obtained by Banerjee et al. [21] and in contrast with that obtained from Florez et al. [20] and Richtsmeier et al. [16] These authors found planar and octahedral structures, respectively.
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