Geometries of and clusters.
Absorption spectra of and clusters.
, HOMO, LUMO, and of and clusters.
Dynamic dipole polarizabilities of (a) and (b) clusters.
Size dependence of the dipole polarizabilities of and clusters at and 1.17 eV.
of (a) and (b) clusters.
Size dependence of of and clusters at and 1.17 eV.
Plot of vs for clusters. Filled triangles indicate the calculated values, and the solid line is the best fit. The value is in unit of .
Density functional and basis set dependences of the first excitation energies (eV) of and .
Density functional and basis set dependences of the static dipole polarizabilities and first-order hyperpolarizabilities of and . The results based on the HF and CCSD methods were included for comparison.
HOMO-LUMO gaps , excitation energies and oscillator strengths of the first excited state and the major transitions in the first excited determinant for and clusters.
, , (debye), and of and clusters for , 0.65, and 1.17 eV.
, , , , and of and clusters at , 0.65, and 1.17 eV.
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