Results 61 to 70 of about 878,894 (294)

Quantum phase transition between hyperuniform density distributions

Physical Review Research, 2022
We study an electron distribution under a quasiperiodic potential in light of hyperuniformity, aiming to establish a classification and analysis method for aperiodic but orderly density distributions realized in, e.g., quasicrystals.
Shiro Sakai, Ryotaro Arita, Tomi Ohtsuki
doaj   +1 more source

Spin Orbit Coupling in Orthogonal Charge Transfer States: (TD-)DFT of Pyrene—Dimethylaniline

Molecules, 2022
The conformational dependence of the matrix element for spin–orbit coupling and of the electronic coupling for charge separation are determined for an electron donor–acceptor system containing a pyrene acceptor and a dimethylaniline donor.
Shivan Bissesar, Davita M. E. van Raamsdonk, Dáire J. Gibbons, René M. Williams   +3 more
doaj   +1 more source

Polarization‐resolved femtosecond Vis/IR spectroscopy tailored for resolving weak signals in biological samples using minimal sample volume

FEBS Open Bio, EarlyView.
Unique biological samples, such as site‐specific mutant proteins, are available only in limited quantities. Here, we present a polarization‐resolved transient infrared spectroscopy setup with referencing to improve signal‐to‐noise tailored towards tracing small signals. We provide an overview of characterizing the excitation conditions for polarization‐
Clark Zahn, Karsten Heyne
wiley   +1 more source

Hundreds of Nanocoulomb Electron Acceleration Driven by Multipetawatt Laser in Subcritical Density Plasmas

Advanced Photonics Research
High‐charge beams remain a key research focus in laser plasma acceleration, driven by the demands of extreme experimental conditions in nuclear physics, laboratory astrophysics, and fusion research. A distinct acceleration mechanism is presented in which
Xi‐Chen Hu, Ming‐Yang Zhu, Yi‐Fei Li, Jie Feng, Guang‐Wei Lu, Yao‐Jun Li, Xu‐Lei Ge, Xiao‐Jun Huang, Wen‐Chao Yan, Li‐Ming Chen   +9 more
doaj   +1 more source

Tightly binding valence electron in aluminum observed through X-ray charge density study

Scientific Reports, 2018
Accurate and high reciprocal resolution experimental structure factors of aluminum were determined from a synchrotron powder X-ray diffraction data measured at 30 K with sin θ/λ 
Tomoaki Sasaki, Hidetaka Kasai, Eiji Nishibori   +2 more
doaj   +1 more source

Tuning the effects of Landau-level mixing on anisotropic transport in quantum Hall systems

, 2011
Electron-electron interactions in half-filled high Landau levels in two-dimensional electron gases in a strong perpendicular magnetic field can lead to states with anisotropic longitudinal resistance.
Bishara W, Fradkin E, Imry Y, MacDonald A H, Malcolm P Kennett, Peter M Smith, Prange R E   +6 more
core   +1 more source

Electron-phonon interaction in ultrasmall-radius carbon nanotubes [PDF]

, 2004
We perform analysis of the band structure, phonon dispersion, and electron-phonon interactions in three types of small-radius carbon nanotubes. We find that the (5,5) can be described well by the zone-folding method and the electron-phonon interaction is
A. B. Migdal, A. B. Migdal, A. J. Heeger, D. Loss, Efthimios Kaxiras, Eugene Demler, G. M. Eliashberg, G. M. Eliashberg, J. R. Schrieffer, J. Voit, L. G. Caron, L. X. Benedict, P. B. Allen, R. E. Peierls, R. Egger, R. Saito, Ryan Barnett, S. Ijima, T. Inoshita, V. P. Antropov, W. L. McMillan   +20 more
core   +1 more source

Accuracy of charge densities in electronic structure calculations

The Journal of Chemical Physics
Accurate charge densities are essential for reliable electronic structure calculations because they significantly impact predictions of various chemical properties and, in particular, according to the Hellmann–Feynman theorem, atomic forces. This study examines the accuracy of charge densities obtained from different density functional theory (DFT ...
Moritz Gubler, Moritz R. Schäfer, Jörg Behler, Stefan Goedecker   +3 more
openaire   +3 more sources

Molecular dynamics simulations of positively selected codons in FcγRI reveal novel biochemical binding properties

FEBS Open Bio, EarlyView.
Evolutionary analysis across 32 placental mammals identified positive selection at residues H148 and W149 in the immune receptor FcγR1. Ancestral reconstruction combined with molecular dynamics simulations reveals how these mutations may influence receptor structure and dynamics, providing insight into the evolution of antibody recognition and immune ...
David A. Young, Omar Arias‐Gaguancela, Fiona Gibson, Morgan Grainger, Jodie Score, Amit Nathubhai, Mauricio Cafiero, Lee Richard Machado   +7 more
wiley   +1 more source

Fingerprints of magnetoinduced charge density waves in monolayer graphene beyond half filling

Scientific Reports, 2022
A charge density wave is a condensate of fermions, whose charge density shows a long-range periodic modulation. Such charge density wave can be principally described as a macroscopic quantum state and is known to occur by various formation mechanisms ...
Felix Hoffmann, Martin Siebert, Antonia Duft, Vojislav Krstić   +3 more
doaj   +1 more source