Zeitschriftenartikel (34)
2016
Zeitschriftenartikel
Improved ab initio calculation of surface second-harmonic generation from Si(111)(1×1):H ,
Physical Review B 93 (23), 235304 (2016)
Zeitschriftenartikel
Stable Dirac semimetal in the allotropes of group-IV elements , , , ,
Physical Review B 93 (24), 241117(R) (2016)
Zeitschriftenartikel
Conditions for Describing Triplet States in Reduced Density Matrix Functional Theory
Journal of Chemical Theory and Computation 12 (6), 2668–2678 (2016)
Zeitschriftenartikel
Confined linear carbon chains as a route to bulk carbyne
A. Rubio, , , ,
, , , , , , , , , Nature Materials 15 (6), 634–639 (2016)
Zeitschriftenartikel
On the Exciton Coupling between Two Chlorophyll Pigments in the Absence of a Protein Environment: Intrinsic Effects Revealed by Theory and Experiment , , , , ,
Angewandte Chemie International Edition 55 (21), 6248–6251 (2016)
Zeitschriftenartikel
The mechanical bond on carbon nanotubes: diameter-selective functionalization and effects on physical properties
A. Rubio, , ,
, , , , , , Nanoscale 8 (17), 9254–9264 (2016)
Zeitschriftenartikel
Tailored pump-probe transient spectroscopy with time-dependent density-functional theory: controlling absorption spectra , , ,
European Physical Journal B 89 (5), 128 (2016)
Zeitschriftenartikel
Theory of light-enhanced phonon-mediated superconductivity
M. A. Sentef, , ,
Physical Review B 93 (14), 144506 (2016)
Zeitschriftenartikel
Bilayer SnS2: Tunable stacking sequence by charging and loading pressure
A. Rubio, , ,
, , Physical Review B 93 (12), 125403 (2016)
Zeitschriftenartikel
Validity of power functionals for a homogeneous electron gas in reduced-density-matrix-functional theory
F. G. Eich, ,
, Physical Review A 93 (3), 032503 (2016)
Zeitschriftenartikel
Anisotropic electronic, mechanical, and optical properties of monolayer WTe2 , , ,
Journal of Applied Physics 119 (7), 074307 (2016)
Zeitschriftenartikel
Determination of scattering time and of valley occupation in transition-metal dichalcogenides doped by field effect
T. Brumme, ,
Physical Review B 93 (8), 081407(R) (2016)
Zeitschriftenartikel
Density functional theory study of the α−γ phase transition in cerium: Role of electron correlation and f-orbital localization
Physical Review B 93 (7), 075153 (2016)
Zeitschriftenartikel
Photoinduced Absorption within Single-Walled Carbon Nanotube Systems , , , , ,
The Journal of Physical Chemistry C 120 (3), 1926–1935 (2016)
Buchkapitel (1)
2016
Buchkapitel
Dynamical Processes in Open Quantum Systems from a TDDFT Perspective: Resonances and Electron Photoemission , ,
In:
, , , Herausgeber. vol. 368, Cham, Switzerland: Springer International Publishing; 2016, S. 219–271Konferenzbeitrag (1)
2016
Konferenzbeitrag
First-principles calculations for initial electronic excitation in dielectrics induced by intense femtosecond laser pulses
LASER-INDUCED DAMAGE IN OPTICAL MATERIALS 2016, Bellingham, Washington USA: SPIE; 2016
Hochschulschrift - Doktorarbeit (2)
2016
Hochschulschrift - Doktorarbeit
Exact nonadiabatic many-body dynamics: electron-phonon coupling in photoelectron spectroscopy and light-matter interactions in quantum electrodynamical density-functional theory
Humboldt-Universität zu Berlin, 2016
Hochschulschrift - Doktorarbeit
Analysis and Control of Transient Spectra Using Time-Dependent Density Functional Theory
University of the Basque Country UPV/EHU, 2016