Progress in time-dependent density-functional theory
ME Casida, M Huix-Rotllant - Annual review of physical …, 2012 - annualreviews.org
The classic density-functional theory (DFT) formalism introduced by Hohenberg, Kohn, and
Sham in the mid-1960s is based on the idea that the complicated N-electron wave function …
Sham in the mid-1960s is based on the idea that the complicated N-electron wave function …
Time-dependent density-functional theory: concepts and applications
CA Ullrich - 2011 - books.google.com
Time-dependent density-functional theory (TDDFT) describes the quantum dynamics of
interacting electronic many-body systems formally exactly and in a practical and efficient …
interacting electronic many-body systems formally exactly and in a practical and efficient …
[图书][B] Density functional theory
E Engel - 2011 - Springer
This book emerged from a course on density functional theory (DFT), first given at the
University of Munich more than a decade ago. The course was based on the classic texts by …
University of Munich more than a decade ago. The course was based on the classic texts by …
[HTML][HTML] Perspective: Fundamental aspects of time-dependent density functional theory
NT Maitra - The Journal of Chemical Physics, 2016 - pubs.aip.org
In the thirty-two years since the birth of the foundational theorems, time-dependent density
functional theory has had a tremendous impact on calculations of electronic spectra and …
functional theory has had a tremendous impact on calculations of electronic spectra and …
Electronic excitations: density-functional versus many-body Green's-function approaches
Electronic excitations lie at the origin of most of the commonly measured spectra. However,
the first-principles computation of excited states requires a larger effort than ground-state …
the first-principles computation of excited states requires a larger effort than ground-state …
Theory of surface plasmons and surface-plasmon polaritons
JM Pitarke, VM Silkin, EV Chulkov… - Reports on progress in …, 2006 - iopscience.iop.org
Collective electronic excitations at metal surfaces are well known to play a key role in a wide
spectrum of science, ranging from physics and materials science to biology. Here we focus …
spectrum of science, ranging from physics and materials science to biology. Here we focus …
Resonance shifts and spill-out effects in self-consistent hydrodynamic nanoplasmonics
G Toscano, J Straubel, A Kwiatkowski… - Nature …, 2015 - nature.com
The standard hydrodynamic Drude model with hard-wall boundary conditions can give
accurate quantitative predictions for the optical response of noble-metal nanoparticles …
accurate quantitative predictions for the optical response of noble-metal nanoparticles …
Time-dependent density-functional theory for molecules and molecular solids
ME Casida - Journal of Molecular Structure: THEOCHEM, 2009 - Elsevier
Time-dependent density-functional theory (TDDFT) has become a well-established part of
the modern theoretical chemist's toolbox for treating electronic excited states. Yet, though …
the modern theoretical chemist's toolbox for treating electronic excited states. Yet, though …
Real-time time-dependent electronic structure theory
Real-time electronic structure methods provide an unprecedented view of electron dynamics
and ultrafast spectroscopy on the atto-and femtosecond time scale with vast potential to yield …
and ultrafast spectroscopy on the atto-and femtosecond time scale with vast potential to yield …
Time-dependent density functional theory: Past, present, and future
Time-dependent density functional theory (TDDFT) is presently enjoying enormous
popularity in quantum chemistry, as a useful tool for extracting electronic excited state …
popularity in quantum chemistry, as a useful tool for extracting electronic excited state …