[HTML][HTML] DFT exchange: sharing perspectives on the workhorse of quantum chemistry and materials science
In this paper, the history, present status, and future of density-functional theory (DFT) is
informally reviewed and discussed by 70 workers in the field, including molecular scientists …
informally reviewed and discussed by 70 workers in the field, including molecular scientists …
[HTML][HTML] Strong light-matter coupling in quantum chemistry and quantum photonics
In this article, we review strong light-matter coupling at the interface of materials science,
quantum chemistry, and quantum photonics. The control of light and heat at thermodynamic …
quantum chemistry, and quantum photonics. The control of light and heat at thermodynamic …
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 …
[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 …
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 …
Density-functional method for nonequilibrium electron transport
We describe an ab initio method for calculating the electronic structure, electronic transport,
and forces acting on the atoms, for atomic scale systems connected to semi-infinite …
and forces acting on the atoms, for atomic scale systems connected to semi-infinite …
[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 …
[图书][B] Quantum kinetics in transport and optics of semiconductors
H Haug, AP Jauho - 2008 - Springer
During the 11 years since the first edition was published the field of quantum kinetics has
experienced a great expansion, and the methods described in the first edition are now …
experienced a great expansion, and the methods described in the first edition are now …
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 …