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The year 2004 was a remarkable one for the growing ?eld of
time-dependent density functional theory (TDDFT). Not only did we
celebrate the 40th - niversary of the Hohenberg-Kohn paper, which
had laid the foundation for ground-state density functional theory
(DFT), but it was also the 20th - niversary of the work by Runge
and Gross, establishing a ?rm footing for the time-dependent
theory. Because the ?eld has grown to such prominence, and has
spread to so many areas of science (from materials to
biochemistry), we feel that a volume dedicated to TDDFT is most
timely. TDDFT is based on a set of ideas and theorems quite
distinct from those governingground-stateDFT, butemployingsimilar
techniques.Itisfarmore than just applying ground-state DFT to
time-dependent problems, as it - volves its own exact theorems and
new and di?erent density functionals. Presently,
themostpopularapplicationistheextractionofelectronicexcit- state
properties, especially transition frequencies. By applying TDDFT
after thegroundstateofamoleculehasbeenfound,
wecanexploreandunderstand the complexity of its spectrum, thus
providing much more information about the species. TDDFT has a
especially strong impact in the photochemistry of biological
molecules, where the molecules are too large to be handled by t-
ditional quantum chemical methods, and are too complex to be
understood with simple empirical frontier orbital theo
The first Nato Advanced Studies Institute entirely devoted to
density functional theory was held in Portugal in September 1983.
The proceedings of this School, publis hed in early 1985, is still
used as a standard reference covering the basic development of the
theory and applications in atomic, molecular, solid state and
nuclear physics. Ho wever, astonishing progress has been achieved
in the intervening years: The foundations of the theory have been
extended to cover excited states and time dependent problems more
fully, density functional theory of classical liquids and
superconducting systems has been addressed and extensions to
relativistic, that is, field theoretical systems, as well as a more
thorough discussion of magnetic field problems have been presented.
In addition, new functionals have been devised, for instance under
the heading of ge neralised gradient expansions, and the number of
applications in the traditional fields has steadily increased, in
particular in chemistry. Applications in new fields, as for
instance the structure of atomic clusters and the marriage of
density functional theory with molecular dynamics and simulated
annealing, have provided additional impetus to the field of density
functional theory."
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