Results 91 to 100 of about 326,761 (366)
Redox‐active ligands as a challenge for electronic structure methods
Journal of Computational Chemistry, Volume 44, Issue 3, Page 468-479, January 30, 2023., 2023 The 3d transition metal complexes with redox‐active ligands are highly attractive for catalysis, but a challenge for first‐principles electronic structure methods such as density functional theory (DFT). The ligands’ redox‐activity can lead to the self‐consistent field algorithm converging to high‐energy solutions.
Ursula Rastetter +2 more
wiley +1 more source
Condensed MatterIn a recent work, it was demonstrated within the framework of Pseudo Quantum Electro-dynamics (PQED) at zero temperature that the logarithmic renormalization of the Fermi velocity in a graphene sheet is inhibited by the presence of a single parallel ...
Jeferson Danilo L. Silva +4 more
doaj +1 more source
Persistence length of semiflexible polymers and bending rigidity renormalization [PDF]
Europhys. Lett. 76, 994 (2006), 2011 The persistence length of semiflexible polymers and one-dimensional fluid membranes is obtained from the renormalization of their bending rigidity. The renormalized bending rigidity is calculated using an exact real-space functional renormalization group transformation based on a mapping to the one-dimensional Heisenberg model. The renormalized bending
arxiv +1 more source
Renormalization group fixed points of foliated gravity-matter systems [PDF]
Journal of High Energy Physics, 2017 We employ the Arnowitt-Deser-Misner formalism to study the renormalization group flow of gravity minimally coupled to an arbitrary number of scalar, vector, and Dirac fields. The decomposition of the gravitational degrees of freedom into a lapse function,
J. Biemans +2 more
semanticscholar +1 more source
Multiple Couplings and Renormalization Scheme Ambiguities
, 2018 The ambiguities inherent in renormalization are considered when using mass-independent renormalization in massless theories that involve two coupling coupling constants.
McKeon, D. G. C., Zhao, Chenguang
core +1 more source
Phenomenological Renormalization Group Methods [PDF]
, 1999 Some renormalization group approaches have been proposed during the last few years which are close in spirit to the Nightingale phenomenological procedure. In essence, by exploiting the finite size scaling hypothesis, the approximate critical behavior of
Figueiredo, W. +2 more
core +3 more sources
Renormalization for Philosophers [PDF]
, 2016 We have two aims. The main one is to expound the idea of renormalization in quantum field theory, with no technical prerequisites (Sections 2 and 3). Our motivation is that renormalization is undoubtedly one of the great ideas, and great successes, of twentieth-century physics. Also it has strongly influenced in diverse ways, how physicists conceive of
Jeremy Butterfield, Nazim Bouatta
openaire +3 more sources
Renormalization for Discrete Optimization [PDF]
Physical Review Letters, 1999 4 pages, no ...
Houdayer, J., Martin, O.C.
openaire +6 more sources
2D Covalent Moiré Superlattice from Fluorinating Twisted Bilayer Graphene
Advanced Functional Materials, EarlyView.A novel class of moiré materials, termed covalent moiré superlattice is proposed, which can be synthesized by functionalizing moiré van der Waals materials. By fluorinating twisted bilayer graphene, the weak van der Waals interactions between twisted graphene layers are transformed into strong covalent bonds, making the moiré superlattice effects ...
Depeng Ji, Qiaoling Xu, Lede Xian
wiley +1 more source
Renormalization in Quantum Brain Dynamics
AppliedMath, 2023 We show renormalization in Quantum Brain Dynamics (QBD) in 3+1 dimensions, namely Quantum Electrodynamics with water rotational dipole fields. First, we introduce the Lagrangian density for QBD involving terms of water rotational dipole fields, photon ...
Akihiro Nishiyama +2 more
doaj +1 more source