Experiment versus Time Dependent Density Functional Theory Prediction of Fullerene Electronic Absorption
- 1 May 1998
- journal article
- research article
- Published by American Chemical Society (ACS) in Journal of the American Chemical Society
- Vol. 120 (20) , 5052-5059
- https://doi.org/10.1021/ja9730167
Abstract
No abstract availableKeywords
This publication has 53 references indexed in Scilit:
- Solvent effects on the optical limiting action of C60 solutionsMolecular Physics, 1996
- Structural and electronic properties of C78 isomersThe Journal of Chemical Physics, 1995
- Electronic structure and spectroscopy of the five most stable isomers of C78 fullereneThe Journal of Physical Chemistry, 1995
- Solvent Effects on the Electronic Spectrum of C60The Journal of Physical Chemistry, 1995
- Ultraviolet-visible absorption spectrum of C60 vapor and determination of the C60 vaporization enthalpyThe Journal of Chemical Physics, 1994
- A direct algorithm for self-consistent-field linear response theory and application to C60: Excitation energies, oscillator strengths, and frequency-dependent polarizabilitiesThe Journal of Chemical Physics, 1993
- Interpretation of the vibrational structure of the emission and absorption spectra of C60The Journal of Chemical Physics, 1992
- Fully optimized contracted Gaussian basis sets for atoms Li to KrThe Journal of Chemical Physics, 1992
- Solid C60: a new form of carbonNature, 1990
- Self-interaction correction to density-functional approximations for many-electron systemsPhysical Review B, 1981