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https://www.readbyqxmd.com/read/30474088/relations-between-the-aromaticity-and-magnetic-dipole-transitions-in-the-electronic-spectra-of-hetero-8-circulenes
#1
R R Valiev, G V Baryshnikov, D Sundholm
Magnetically induced current densities have been calculated at the second-order Møller-Plesset perturbation theory (MP2) level for seven hetero[8]circulenes and their dicationic and dianionic forms. Calculations of the magnetic dipole transition moments have also been carried out at the algebraic diagrammatic construction (ADC(2)) and the second-order approximate coupled-cluster (CC2) levels. The calculations show that the degree of aromaticity and the size of the magnetic dipole transition moment of the lowest magnetic-dipole allowed excited state are related...
November 26, 2018: Physical Chemistry Chemical Physics: PCCP
https://www.readbyqxmd.com/read/30466266/global-elucidation-of-broken-symmetry-solutions-to-the-independent-particle-model-through-a-lie-algebraic-approach
#2
Lee M Thompson
Broken symmetry solutions-solutions to the independent particle model that do not obey all symmetries required by the Hamiltonian-have attracted significant interest for capturing multireference properties with mean-field scaling. However, identification and optimization of broken-symmetry solutions is difficult owing to the non-linear nature of the self-consistent field (SCF) equations, particularly for solutions belonging to low-symmetry subgroups and where multiple broken symmetry solutions are sought. Linearization of SCF solution space results in the Lie algebra, which this work utilizes as a framework for elucidation of the set of solutions that exist at the desired symmetry...
November 21, 2018: Journal of Chemical Physics
https://www.readbyqxmd.com/read/30411948/geometry-of-multiflavor-galileon-like-theories
#3
Mark P Bogers, Tomáš Brauner
We use Lie-algebraic arguments to classify Lorentz-invariant theories of massless interacting scalars that feature coordinate-dependent redundant symmetries of the Galileon type. We show that such theories are determined, up to a set of low-energy effective couplings, by specifying an affine representation of the Lie algebra of physical, nonredundant internal symmetries and an invariant metric on its target space. This creates an infinite catalog of theories relevant for both cosmology and high-energy physics thanks to their special properties such as enhanced scaling of scattering amplitudes in the soft limit...
October 26, 2018: Physical Review Letters
https://www.readbyqxmd.com/read/30369712/reduction-of-quantum-systems-and-the-local-gauss-law
#4
Ruben Stienstra, Walter D van Suijlekom
We give an operator-algebraic interpretation of the notion of an ideal generated by the unbounded operators associated with the elements of the Lie algebra of a Lie group that implements the symmetries of a quantum system. We use this interpretation to establish a link between Rieffel induction and the implementation of a local Gauss law in lattice gauge theories similar to the method discussed by Kijowski and Rudolph (J Math Phys 43:1796-1808, 2002; J Math Phys 46:032303, 2004).
2018: Letters in Mathematical Physics
https://www.readbyqxmd.com/read/30327487/some-novel-soliton-solution-breather-solution-and-darboux-transformation-for-a-generalized-coupled-toda-soliton-hierarchy
#5
Fajun Yu, Li Li, Shuo Feng
A few of discrete integrable coupling systems(DICSs) of previous papers are linear discrete integrable couplings(LDICS). We take a special matrix Lie algebra system(non-semisimple) to construct the Lax pairs, and establish a method for deriving the nonlinear discrete integrable coupling systems(NDICS). From the Lax pairs of the generalized Toda(G-Toda) spectral problem, we can derive a novel NDICS, which is a real NDICS. For the obtained lattice integrable coupling equation, we establish a Darboux transformation (DT) with 4 × 4 Lax pairs, and apply the gauge transformation to a specific equation, then the explicit solutions of the lattice integrable coupling equation are given, which contains discrete soliton solution, breather solution and rogue wave solution...
October 16, 2018: Scientific Reports
https://www.readbyqxmd.com/read/30271308/detecting-depression-severity-by-interpretable-representations-of-motion-dynamics
#6
Anis Kacem, Zakia Hammal, Mohamed Daoudi, Jeffrey Cohn
Recent breakthroughs in deep learning using automated measurement of face and head motion have made possible the first objective measurement of depression severity. While powerful, deep learning approaches lack interpretability. We developed an interpretable method of automatically measuring depression severity that uses barycentric coordinates of facial landmarks and a Lie-algebra based rotation matrix of 3D head motion. Using these representations, kinematic features are extracted, preprocessed, and encoded using Gaussian Mixture Models (GMM) and Fisher vector encoding...
May 2018: Proceedings of the ... International Conference on Automatic Face and Gesture Recognition
https://www.readbyqxmd.com/read/30135963/efficient-parallel-transport-in-the-group-of-diffeomorphisms-via-reduction-to-the-lie-algebra
#7
Kristen M Campbell, P Thomas Fletcher
This paper presents an efficient, numerically stable algorithm for parallel transport of tangent vectors in the group of diffeomorphisms. Previous approaches to parallel transport in large deformation diffeomorphic metric mapping (LDDMM) of images represent a momenta field, the dual of a tangent vector to the diffeomorphism group, as a scalar field times the image gradient. This "scalar momenta" constraint couples tangent vectors with the images being deformed and leads to computationally costly horizontal lifts in parallel transport...
September 2017: Graphs in Biomedical Image Analysis, Computational Anatomy and Imaging Genetics: first International Workshop, GRAIL 2017, 6th International Workshop, MFCA 2017, and third International Workshop, MICGen 2017, held in conjunction with MICCAI 2017, Québec
https://www.readbyqxmd.com/read/30134699/an-experimental-and-theoretical-study-of-the-photoelectron-spectra-of-cis-dichloroethene-valence-shell-vertical-ionization-and-vibronic-coupling-in-the-low-lying-cationic-states
#8
A B Trofimov, I Powis, R C Menzies, D M P Holland, E Antonsson, M Patanen, C Nicolas, C Miron, A D Skitnevskaya, E V Gromov, H Köppel
The valence shell photoelectron spectrum of cis -dichloroethene has been studied both experimentally and theoretically. Photoelectron spectra have been recorded with horizontally and vertically plane polarized synchrotron radiation, thereby allowing the anisotropy parameters, characterizing the angular distributions, to be determined. The third-order algebraic-diagrammatic construction approximation scheme for the one-particle Green's function has been employed to compute the complete valence shell ionization spectrum...
August 21, 2018: Journal of Chemical Physics
https://www.readbyqxmd.com/read/30106726/efficient-and-robust-direct-image-registration-based-on-joint-geometric-and-photometric-lie-algebra
#9
Chenxi Li, Zelin Shi, Yunpeng Liu, Tianci Liu, Lingyun Xu
This paper considers the joint geometric and photometric image registration problem. The inverse compositional (IC) algorithm and the efficient second-order minimization (ESM) algorithm are two typical efficient methods applied to the geometric registration problem. Their efficiency stems from the utilization of the group structure of geometric transformations. To allow for photometric variations, the dual IC algorithm (DIC) proposed by Bartoli performs joint geometric and photometric image registration by extending the IC algorithm...
December 2018: IEEE Transactions on Image Processing: a Publication of the IEEE Signal Processing Society
https://www.readbyqxmd.com/read/30080741/thalamic-atrophy-and-dysfunction-in-patients-with-mild-to-moderate-traumatic-diffuse-axonal-injury-a-short-term-and-mid-term-mri-study
#10
Lin Wu, Fuqing Zhou, Yue Zhang, Jian Li, Hongmei Kuang, Jie Zhan, Dechang Peng, Laichang He, Xianjun Zeng, Honghan Gong
Disrupted white matter structure has been established in patients with diffuse axonal injury (DAI), but morphological changes in gray matter and local intrinsic activity in the short and midterm (before 6 months) have not been documented in DAI patients. We hypothesized that regionally selective atrophy observed in deep gray matter in the short-term and mid-term periods in patients with mild-to-moderate DAI, local atrophy, and/or dysfunction would be related to clinical characteristics. We evaluated the changes in regional density and synchronization in 18 DAI patients separately using Diffeomorphic Anatomical Registration through Exponentiated Lie algebra-enhanced voxel-based morphometry and regional homogeneity (ReHo)...
October 17, 2018: Neuroreport
https://www.readbyqxmd.com/read/30011553/quantum-heat-engines-limit-cycles-and-exceptional-points
#11
Andrea Insinga, Bjarne Andresen, Peter Salamon, Ronnie Kosloff
We show that the inability of a quantum Otto cycle to reach a limit cycle is connected with the propagator of the cycle being noncompact. For a working fluid consisting of quantum harmonic oscillators, the transition point in parameter space where this instability occurs is associated with a non-Hermitian degeneracy (exceptional point) of the eigenvalues of the propagator. In particular, a third-order exceptional point is observed at the transition from the region where the eigenvalues are complex numbers to the region where all the eigenvalues are real...
June 2018: Physical Review. E
https://www.readbyqxmd.com/read/29993754/neural-network-based-model-free-adaptive-near-optimal-tracking-control-for-a-class-of-nonlinear-systems
#12
Yinyan Zhang, Shuai Li, Xiaoping Liu
In this paper, the receding horizon near-optimal tracking control problem about a class of continuous-time nonlinear systems with fully unknown dynamics is considered. The main challenges of this problem lie in two aspects: 1) most existing systems only restrict their considerations to the state feedback part while the input channel parameters are assumed to be known. This paper considers fully unknown system dynamics in both the state feedback channel and the input channel and 2) the optimal control of nonlinear systems requires the solution of nonlinear Hamilton-Jacobi-Bellman equations...
December 2018: IEEE Transactions on Neural Networks and Learning Systems
https://www.readbyqxmd.com/read/29893385/quantum-correlations-are-weaved-by-the-spinors-of-the-euclidean-primitives
#13
Joy Christian
The exceptional Lie group E 8 plays a prominent role in both mathematics and theoretical physics. It is the largest symmetry group associated with the most general possible normed division algebra, namely, that of the non-associative real octonions, which-thanks to their non-associativity-form the only possible closed set of spinors (or rotors) that can parallelize the 7-sphere. By contrast, here we show how a similar 7-sphere also arises naturally from the algebraic interplay of the graded Euclidean primitives, such as points, lines, planes and volumes, which characterize the three-dimensional conformal geometry of the ambient physical space, set within its eight-dimensional Clifford-algebraic representation...
May 2018: Royal Society Open Science
https://www.readbyqxmd.com/read/29891502/reducing-nonlinear-dynamical-systems-to-canonical-forms
#14
Léon Brenig
A global framework for treating nonlinear differential dynamical systems is presented. It rests on the fact that most systems can be transformed into the quasi-polynomial format. Any system in this format belongs to an infinite equivalence class characterized by two canonical forms, the Lotka-Volterra (LV) and the monomial systems. Both forms allow for finding total or partial integrability conditions, invariants and dimension reductions of the original systems. The LV form also provides Lyapunov functions and systematic tools for stability analysis...
July 28, 2018: Philosophical Transactions. Series A, Mathematical, Physical, and Engineering Sciences
https://www.readbyqxmd.com/read/29845973/continuous-vibronic-symmetries-in-jahn-teller-models
#15
Raphael F Ribeiro, Joel Yuen-Zhou
Explorations of the consequences of the Jahn-Teller (JT) effect remain active in solid-state and chemical physics. In this topical review we revisit the class of JT models which exhibit continuous vibronic symmetries. A treatment of these systems is given in terms of their algebraic properties. In particular, the compact symmetric spaces corresponding to JT models carrying a vibronic Lie group action are identified, and their invariants used to reduce their adiabatic potential energy surfaces into orbit spaces of the corresponding Lie groups...
August 22, 2018: Journal of Physics. Condensed Matter: An Institute of Physics Journal
https://www.readbyqxmd.com/read/29756933/qudit-basis-universal-quantum-computation-using-%C3%AF-2-interactions
#16
Murphy Yuezhen Niu, Isaac L Chuang, Jeffrey H Shapiro
We prove that universal quantum computation can be realized-using only linear optics and χ^{(2)} (three-wave mixing) interactions-in any (n+1)-dimensional qudit basis of the n-pump-photon subspace. First, we exhibit a strictly universal gate set for the qubit basis in the one-pump-photon subspace. Next, we demonstrate qutrit-basis universality by proving that χ^{(2)} Hamiltonians and photon-number operators generate the full u(3) Lie algebra in the two-pump-photon subspace, and showing how the qutrit controlled-Z gate can be implemented with only linear optics and χ^{(2)} interactions...
April 20, 2018: Physical Review Letters
https://www.readbyqxmd.com/read/29748773/preliminary-evidence-of-altered-gray-matter-volume-in-subjects-with-internet-gaming-disorder-associations-with-history-of-childhood-attention-deficit-hyperactivity-disorder-symptoms
#17
Deokjong Lee, Kee Namkoong, Junghan Lee, Young-Chul Jung
Attention-deficit/hyperactivity disorder (ADHD) is commonly comorbid with Internet gaming disorder (IGD). Although childhood ADHD symptoms may decline during late brain maturation, structural alterations in some brain areas may persist into adulthood. This study investigated whether young adults with IGD and a history of childhood ADHD symptoms had gray matter volume (GMV) alterations that were distinct from subjects without a history of childhood ADHD. As an exploratory investigation, we conducted a whole-brain voxel-based morphometry with the diffeomorphic anatomical registration using an exponentiated Lie algebra algorithm and applied an uncorrected threshold at the voxel level for multiple comparisons...
May 11, 2018: Brain Imaging and Behavior
https://www.readbyqxmd.com/read/29700532/modeling-tadf-in-organic-emitters-requires-a-careful-consideration-of-the-environment-and-going-beyond-the-franck-condon-approximation
#18
Jan-Michael Mewes
The origin of the thermally-activated delayed fluorescence (TADF) of three organic emitters is investigated, focusing on the nature of the lowest excited states, their transition properties, as well as the role of the environment. For this purpose, the algebraic-diagrammatic construction for the polarization propagator at second order of perturbation theory [ADC(2)], time-dependent density-functional theory in the Tamm-Dancoff approximation (TDA) and unrestricted Kohn-Sham DFT in combination with the maximum-overlap method (ΔDFT) are employed...
May 9, 2018: Physical Chemistry Chemical Physics: PCCP
https://www.readbyqxmd.com/read/29497239/orbispaces-as-differentiable-stratified-spaces
#19
Marius Crainic, João Nuno Mestre
We present some features of the smooth structure and of the canonical stratification on the orbit space of a proper Lie groupoid. One of the main features is that of Morita invariance of these structures-it allows us to talk about the canonical structure of differentiable stratified space on the orbispace (an object analogous to a separated stack in algebraic geometry) presented by the proper Lie groupoid. The canonical smooth structure on an orbispace is studied mainly via Spallek's framework of differentiable spaces, and two alternative frameworks are then presented...
2018: Letters in Mathematical Physics
https://www.readbyqxmd.com/read/29497238/normal-forms-for-poisson-maps-and-symplectic-groupoids-around-poisson-transversals
#20
Pedro Frejlich, Ioan Mărcuț
Poisson transversals are submanifolds in a Poisson manifold which intersect all symplectic leaves transversally and symplectically. In this communication, we prove a normal form theorem for Poisson maps around Poisson transversals. A Poisson map pulls a Poisson transversal back to a Poisson transversal, and our first main result states that simultaneous normal forms exist around such transversals, for which the Poisson map becomes transversally linear, and intertwines the normal form data of the transversals...
2018: Letters in Mathematical Physics
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