On March 18th, 2005, Dr. Meta van Faassen successfully defended her Ph.D. thesis entitled “Time-Dependent Current-Density-Functional Theory for Molecules”. A (large) PDF file of the thesis is available from the Theses section. Contact SCM to obtain a free paper copy in book form (limited availability).
Dr. van Faassen was supervised by Dr. Paul de Boeij, Dr. Robert van Leeuwen and the late Prof. Snijders. Her thesis shows results of the Vignale-Kohn exchange-correlation functional applied to optical properties of molecules. The results for polarizabilities of conjugated polymers dramatically correct for the incorrect trends obtained with LDA and GGA functionals. For ordinary molecules the Vignale-Kohn results are less convincing. The reasons for this are analyzed in the thesis.