Journal Article (65)

2019
Journal Article
Theory for Electron Excitation in Dielectrics under an Intense Linear and Circularly Polarized Laser Fields
T. Otobe, Y. Shinohara, S. Sato, K. Yabana
Journal of the Physical Society of Japan 88 (2), 024706 (2019)
MPG.PuRe
DOI
post-print
Journal Article
Strictly-correlated-electron approach to excitation energies of dissociating molecules
L. Cort, S. E. B. Nielsen, R. van Leeuwen
Physical Review A 99 (2), 022501 (2019)
MPG.PuRe
DOI
publisher-version
Journal Article
Spectroscopic Determination of the Electronic Structure of a Uranium Single‐Ion Magnet
J. T. Coutinho, M. Perfetti, J. Baldovi, M. A. Antunes, P. P. Hallmen, H. Bamberger, I. Crassee, M. Orlita, M. Almeida, J. van Slageren, L. C. J. Pereira
Chemistry – A European Journal 25 (7), 1758–1766 (2019)
MPG.PuRe
DOI
Journal Article
SALMON: Scalable Ab-initio Light–Matter simulator for Optics and Nanoscience
M. Noda, S. Sato, Y. Hirokawa, M. Uemoto, T. Takeuchi, S. Yamada, A. Yamada, Y. Shinohara, M. Yamaguchi, K. Iida, I. Floss, T. Otobe, K.-M. Lee, K. Ishimura, T. Boku, G. F. Bertsch, K. Nobusada, K. Yabana
Computer Physics Communications 235, 356–365 (2019)
MPG.PuRe
DOI
pre-print
Journal Article
Light-matter interactions within the Ehrenfest–Maxwell–Pauli–Kohn–Sham framework: fundamentals, implementation, and nano-optical applications
R. Jestädt, M. Ruggenthaler, M. J. T. Oliveira, A. Rubio, H. Appel
Advances in Physics 68 (4), 225–333 (2019)
MPG.PuRe
DOI
pre-print

Book Chapter (2)

2019
Book Chapter
Electronic Structure of Materials by Ab Initio Methods: Overview
A. Rubio
In: W. Andreoni, editor. Handbook of Materials Modeling, Springer; 2019, p. 1–6
MPG.PuRe
DOI
Book Chapter
Nanoelectronics: Quantum Electron Transport
E. Colomes, G. Albareda Piquer, Z. Zhan, D. Pandey, A. Alarcon, F. Traversa, X. Oriols
Applied Bohmian Mechanics: From Nanoscale Systems to Cosmology, 2nd Edition, 2019
MPG.PuRe

Thesis - PhD (2)

2019
Thesis - PhD
Fully coupled Maxwell-Kohn-Sham systems: Electromagnetic field propagation in Schrödinger-like form and ab initio self-consistent light-matter simulations
R. Jestädt
Technische Universität Berlin, 2019
MPG.PuRe
publisher-version
Thesis - PhD
Density Matrix Embedding Theory: Foundations, Applications and Connection to Functional Theories
T. Reinhard
Universität Hamburg, 2019
MPG.PuRe
publisher-version

Thesis - Master (1)

2019
Thesis - Master
Construction of a Kohn-Sham Iteration Scheme in Time-Dependent Lattice Density-Functional Theory
B.-S. Mehmel
Universität Hamburg, 2019
MPG.PuRe
publisher-version

Preprint (3)

2019
Preprint
Dressed-Orbital Approach to Cavity Quantum Electrodynamics and Beyond
S. E. B. Nielsen, C. Schäfer, M. Ruggenthaler, A. Rubio
(2019)
MPG.PuRe
pre-print
Preprint
Biradical Formation by Deprotonation in Thiazole-Derivatives: The Hidden Nature of Dasatinib
C. Heras, D. Reta, R. Valero, G. Albareda Piquer, N. Chilton, A. Fielding, I. P. R. de Moreira, J. M. Bofill, F. L. Calahorra
(2019)
MPG.PuRe
DOI
pre-print
Preprint
Single-atom control of the optoelectronic response in sub-nanometric cavities
P. Garcia-Gonzalez, A. Varas, F. J. Garcia-Vidal, A. Rubio
(2019)
MPG.PuRe
pre-print
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