TY - JOUR
T1 - Equilibrium geometries and electronic structures of small sodium clusters
AU - Martins, José Luís
AU - Buttet, Jean
AU - Car, Roberto
PY - 1984
Y1 - 1984
N2 - We report self-consistent local-spin-density calculations which provide, for the first time, the equilibrium geometries of the sodium clusters Nan and Nan+ with n<~8 and n=13, without making any a priori assumptions. Our results are in excellent agreement with recently obtained photoionization appearance potentials and electron-spin-resonance spectra. We find rapid formation of the metallic bond with a dominance of closely packed structures in two and three dimensions, and propose a simple model to account for it.
AB - We report self-consistent local-spin-density calculations which provide, for the first time, the equilibrium geometries of the sodium clusters Nan and Nan+ with n<~8 and n=13, without making any a priori assumptions. Our results are in excellent agreement with recently obtained photoionization appearance potentials and electron-spin-resonance spectra. We find rapid formation of the metallic bond with a dominance of closely packed structures in two and three dimensions, and propose a simple model to account for it.
UR - http://www.scopus.com/inward/record.url?scp=7244230886&partnerID=8YFLogxK
UR - http://www.scopus.com/inward/citedby.url?scp=7244230886&partnerID=8YFLogxK
U2 - 10.1103/PhysRevLett.53.655
DO - 10.1103/PhysRevLett.53.655
M3 - Article
AN - SCOPUS:7244230886
SN - 0031-9007
VL - 53
SP - 655
EP - 658
JO - Physical review letters
JF - Physical review letters
IS - 7
ER -