Optical response of small carbon molecules

Preprint

29 November 1996

preprint
Published by arXiv in arXiv

Abstract

We apply the time-dependent local density approximation (TDLDA) to calculate dipole excitations in small carbon molecules. Linear chains are found to have a strong low-frequency mode which varies with chain size as the classical resonance of a conducting needle; here the theory agrees well with observation on C_n molecules in the range n=3-15$. The lowest collective transition in rings occurs at about twice the frequency, which may also be understood in simple terms. TDLDA also explains a weak transition found in even-n chains at the frequency of the HOMO-LUMO gap.

Keywords

SMALL CARBON MOLECULES
CALCULATE DIPOLE
OPTICAL RESPONSE
DEPENDENT LOCAL
LOCAL DENSITY
TDLDA

All Related Versions

Version 1, 1996-11-29, ArXiv
Version 2, 1996-12-02, ArXiv
Version 3, 1996-12-11, ArXiv
Version 4, 1997-09-01, ArXiv
Published version: The European Physical Journal D, 42 (3), 219.

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