TY - JOUR
KW - paper
AU - M Marques
AU - Silvana Botti
AB - The optical response of the lowest-energy isomers of the B-20 family is calculated using time-dependent density-functional theory within a real-space, real-time scheme. Significant differences are found among the absorption spectra of the clusters studied. We show that these differences can be easily related to changes in the overall geometry. Optical spectroscopy is thus an efficient tool to characterize the planar-to-tubular structural transition, known to be present in these boron-based systems.
BT - JOURNAL OF CHEMICAL PHYSICS
CY - CIRCULATION \& FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA
DA - JUL 1
DO - 10.1063/1.1948386
M1 - 1
N2 - The optical response of the lowest-energy isomers of the B-20 family is calculated using time-dependent density-functional theory within a real-space, real-time scheme. Significant differences are found among the absorption spectra of the clusters studied. We show that these differences can be easily related to changes in the overall geometry. Optical spectroscopy is thus an efficient tool to characterize the planar-to-tubular structural transition, known to be present in these boron-based systems.
PB - AMER INST PHYSICS
PP - CIRCULATION \& FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA
PY - 2005
T2 - JOURNAL OF CHEMICAL PHYSICS
TI - The planar-to-tubular structural transition in boron clusters from optical absorption
UR - http://dx.doi.org/10.1063/1.1948386
VL - 123
ER -