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Charge self-consistent dynamical mean field theory calculations incombination with linear combination of numerical atomic orbitalsframework based density functional theory
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作者 Xin Qu Peng Xu +6 位作者 Zhiyong Liu Jintao Wang Fei Wang Wei Huang Zhongxin Li Weichang Xu Xinguo Ren 《Chinese Physics B》 SCIE EI CAS CSCD 2024年第10期62-69,共8页
We present a formalism of charge self-consistent dynamical mean field theory(DMFT)in combination with densityfunctional theory(DFT)within the linear combination of numerical atomic orbitals(LCNAO)framework.We implemen... We present a formalism of charge self-consistent dynamical mean field theory(DMFT)in combination with densityfunctional theory(DFT)within the linear combination of numerical atomic orbitals(LCNAO)framework.We implementedthe charge self-consistent DFT+DMFT formalism by interfacing a full-potential all-electron DFT code with threehybridization expansion-based continuous-time quantum Monte Carlo impurity solvers.The benchmarks on several 3d,4fand 5f strongly correlated electron systems validated our formalism and implementation.Furthermore,within the LCANOframework,our formalism is general and the code architecture is extensible,so it can work as a bridge merging differentLCNAO DFT packages and impurity solvers to do charge self-consistent DFT+DMFT calculations. 展开更多
关键词 dynamical mean field theory density functional theory strongly correlated electrons
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Comparative study on phase transition behaviors of fractional molecular field theory and random-site Ising model
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作者 刘婷玉 赵薇 +3 位作者 王涛 安小冬 卫来 黄以能 《Chinese Physics B》 SCIE EI CAS CSCD 2024年第3期536-541,共6页
Fractional molecular field theory(FMFT)is a phenomenological theory that describes phase transitions in crystals with randomly distributed components,such as the relaxor-ferroelectrics and spin glasses.In order to ver... Fractional molecular field theory(FMFT)is a phenomenological theory that describes phase transitions in crystals with randomly distributed components,such as the relaxor-ferroelectrics and spin glasses.In order to verify the feasibility of this theory,this paper fits it to the Monte Carlo simulations of specific heat and susceptibility versus temperature of two-dimensional(2D)random-site Ising model(2D-RSIM).The results indicate that the FMFT deviates from the 2D-RSIM significantly.The main reason for the deviation is that the 2D-RSIM is a typical system of component random distribution,where the real order parameter is spatially heterogeneous and has no symmetry of space translation,but the basic assumption of FMFT means that the parameter is spatially uniform and has symmetry of space translation. 展开更多
关键词 phase transition molecular field theory Ising model Monte Carlo
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Development of mean-field electrical double layer theory 被引量:1
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作者 黄一珂 刘晓红 +1 位作者 李姝 言天英 《Chinese Physics B》 SCIE EI CAS CSCD 2016年第1期282-288,共7页
In order to understand the electric interfacial behavior, mean field based electric double layer (EDL) theory has been continuously developed over the past 150 years. In this article, we briefly review the developme... In order to understand the electric interfacial behavior, mean field based electric double layer (EDL) theory has been continuously developed over the past 150 years. In this article, we briefly review the development of the EDL model, from the dimensionless Gouy-Chapman model to the symmetric Bikerman-Freise model, and finally toward size-asymmetric mean field theory models. We provide the general derivations within the framework of Helmholtz free energy of the lattice- gas model, and it can be seen that the above-mentioned models are consistent in the sense that the interconversi0n among them can be achieved by reducing the basic assumptions. 展开更多
关键词 electric double layer mean field theory differential capacitance SUPERCAPACITOR
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ELECTRICALLY CHARGED SOLITONS IN GAUGE FIELD THEORY 被引量:2
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作者 杨亦松 《Acta Mathematica Scientia》 SCIE CSCD 2010年第6期1975-2005,共31页
Monopoles and vortices are well known magnetically charged soliton solutions of gauge field equations. Extending the idea of Dirac on monopoles, Schwinger pioneered the concept of solitons carrying both electric and m... Monopoles and vortices are well known magnetically charged soliton solutions of gauge field equations. Extending the idea of Dirac on monopoles, Schwinger pioneered the concept of solitons carrying both electric and magnetic charges, called dyons, which are useful in modeling elementary particles. Mathematically, the existence of dyons presents interesting variational partial differential equation problems, subject to topological constraints. This article is a survey on recent progress in the study of dyons. 展开更多
关键词 gauge field theory MONOPOLES VORTICES DYONS calculus of variations topological invariants
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Improved routing strategy based on gravitational field theory 被引量:2
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作者 宋海权 郭进 《Chinese Physics B》 SCIE EI CAS CSCD 2015年第10期651-658,共8页
Routing and path selection are crucial for many communication and logistic applications. We study the interaction between nodes and packets and establish a simple model for describing the attraction of the node to the... Routing and path selection are crucial for many communication and logistic applications. We study the interaction between nodes and packets and establish a simple model for describing the attraction of the node to the packet in transmission process by using the gravitational field theory, considering the real and potential congestion of the nodes. On the basis of this model, we propose a gravitational field routing strategy that considers the attractions of all of the nodes on the travel path to the packet. In order to illustrate the efficiency of proposed routing algorithm, we introduce the order parameter to measure the throughput of the network by the critical value of phase transition from a free flow phase to a congested phase,and study the distribution of betweenness centrality and traffic jam. Simulations show that, compared with the shortest path routing strategy, the gravitational field routing strategy considerably enhances the throughput of the network and balances the traffic load, and nearly all of the nodes are used efficiently. 展开更多
关键词 complex network network transport routing strategy gravitational field theory CONGESTION
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TOPOLOGICAL STRUCTURE OF RENORM ALIZATION CONSTANTS I N QUANTUM FIELD THEORY AT SHORT DISTANCE KUNMING COLLABRATION OF MULTIHADRON DYNAMIOS 被引量:4
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作者 赵树松 《Acta Mathematica Scientia》 SCIE CSCD 1991年第2期221-224,共4页
The anomalous dimensions of the quantum fields are the Hausdorff dimensiongrad. The present candidate of the renormalization constant is the generalized Cantor discontinuum. The Hausdorff dimensiongrad of the Minkowsk... The anomalous dimensions of the quantum fields are the Hausdorff dimensiongrad. The present candidate of the renormalization constant is the generalized Cantor discontinuum. The Hausdorff dimensiongrad of the Minkowski space time is based upon the point set with σ-length on light cone. 展开更多
关键词 TOPOLOGICAL STRUCTURE OF RENORM ALIZATION CONSTANTS I N QUANTUM field theory AT SHORT DISTANCE KUNMING COLLABRATION OF MULTIHADRON DYNAMIOS 110
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Kinetic Ising model in a time-dependent oscillating external magnetic field:effective-field theory 被引量:1
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作者 Bayram Deviren Osman Canko Mustafa Keskin 《Chinese Physics B》 SCIE EI CAS CSCD 2010年第5期187-194,共8页
Recently, Shiet al. [2008 Phys. Left. A 372 5922] have studied the dynamical response of the kinetic Ising model in the presence of a sinusoidal oscillating field and presented the dynamic phase diagrams by using an e... Recently, Shiet al. [2008 Phys. Left. A 372 5922] have studied the dynamical response of the kinetic Ising model in the presence of a sinusoidal oscillating field and presented the dynamic phase diagrams by using an effective-field theory (EFT) and a mean-field theory (MFT). The MFT results are in conflict with those of the earlier work of Tome and de Oliveira, [1990 Phys. Rev. A 41 4251]. We calculate the dynamic phase diagrams and find that our results are similar to those of the earlier work of Tome and de Oliveira; hence the dynamic phase diagrams calculated by Shiet al. are incomplete within both theories, except the low values of frequencies for the MFT calculation. We also investigate the influence of external field frequency (w) and static external field amplitude (h0) for both MFT and EFT calculations. We find that the behaviour of the system strongly depends on the values of w and h0. 展开更多
关键词 kinetic Ising model effective-field theory mean-field theory
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The effect of a magnetic field on a 2D problem of fibre-reinforced thermoelasticity rotation under three theories
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作者 Kh.Lotfy 《Chinese Physics B》 SCIE EI CAS CSCD 2012年第6期264-275,共12页
In the present paper, we introduce the coupled theory (CD), Lord-Schulman (LS) theory, and Green-Lindsay (GL) theory to study the influences of a magnetic field and rotation on a two-dimensional problem of fibre... In the present paper, we introduce the coupled theory (CD), Lord-Schulman (LS) theory, and Green-Lindsay (GL) theory to study the influences of a magnetic field and rotation on a two-dimensional problem of fibre-reinforced thermoelasticity. The material is a homogeneous isotropic elastic half-space. The method applied here is to use normal mode analysis to solve a thermal shock problem. Some particular cases are also discussed in the context of the problem. Deformation of a body depends on the nature of the force applied as well as the type of boundary conditions. Numerical results for the temperature, displacement, and thermal stress components are given and illustrated graphically in the absence and the presence of the magnetic field and rotation. 展开更多
关键词 Lord-Schulman theory Green-Lindsay theory coupled theory reinforcement rotation magnetic field
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Self-consistent field theory of adsorption of flexible polyelectrolytes onto an oppositely charged sphere
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作者 童朝阳 诸跃进 童朝晖 《Chinese Physics B》 SCIE EI CAS CSCD 2014年第3期577-582,共6页
The adsorption of flexible polyelectrolyte (PE) with the smeared charge distribution onto an oppositely charged sphere immersed in a PE solution is studied numerically with the continuum self-consistent field theory... The adsorption of flexible polyelectrolyte (PE) with the smeared charge distribution onto an oppositely charged sphere immersed in a PE solution is studied numerically with the continuum self-consistent field theory. The power law scaling relationships between the boundary layer thickness and the surface charge density and the charge fraction of PE chains revealed in the study are in good agreement with the existing analytical result. The curvature effect on the degree of charge compensation of the total amount of charges on the adsorbed PE chains over the surface charges is examined, and a clear understanding of it based on the dependences of the degree of charge compensation on the surface charge density and the charge fraction of PE chains is established. 展开更多
关键词 POLYELECTROLYTE ADSORPTION self-consistent field theory
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One-loop renormalizability of noncommutative U(1) gauge theory with scalar fields
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作者 黄家辉 盛正卯 《Chinese Physics B》 SCIE EI CAS CSCD 2010年第1期111-116,共6页
This paper uses the background field method to calculate one-loop divergent corrections to the gauge field propa- gators in noncommutative U(1) gauge theory with scalar fields. It shows that for a massless scalar fi... This paper uses the background field method to calculate one-loop divergent corrections to the gauge field propa- gators in noncommutative U(1) gauge theory with scalar fields. It shows that for a massless scalar field, the gauge field propagators are renormalizable to 02-order, but for a massive scalar field they are renormalizable only to O-order. 展开更多
关键词 noncommutative geometry quantum field theory RENORMALIZATION
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Application of self-consistent field theory to self-assembled bilayer membranes
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作者 张平文 史安昌 《Chinese Physics B》 SCIE EI CAS CSCD 2015年第12期45-52,共8页
Bilayer membranes self-assembled from amphiphilic molecules such as lipids, surfactants, and block copolymers are ubiquitous in biological and physiochemical systems. The shape and structure of bilayer membranes depen... Bilayer membranes self-assembled from amphiphilic molecules such as lipids, surfactants, and block copolymers are ubiquitous in biological and physiochemical systems. The shape and structure of bilayer membranes depend crucially on their mechanical properties such as surface tension, bending moduli, and line tension. Understanding how the molecular properties of the amphiphiles determine the structure and mechanics of the self-assembled bilayers requires a molecularly detailed theoretical framework. The self-consistent field theory provides such a theoretical framework, which is capable of accurately predicting the mechanical parameters of self-assembled bilayer membranes. In this mini review we summarize the formulation of the self-consistent field theory, as exemplified by a model system composed of flexible amphiphilic chains dissolved in hydrophilic polymeric solvents, and its application to the study of self-assembled bilayer membranes. 展开更多
关键词 amphiphilic molecules bilayer membranes elastic moduli self-consistent field theory
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Comparative study on atomic ionization in bicircular laser fields by length and velocity gauges S-matrix theory
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作者 Hong Xia Xin-Yan Jia +4 位作者 Xiao-Lei Hao Li Guo Dai-He Fan Gen-Bai Chu Jing Chen 《Chinese Physics B》 SCIE EI CAS CSCD 2020年第2期254-261,共8页
Ionization of atoms in counter-rotating and co-rotating bicircular laser fields is studied using the S-matrix theory in both length and velocity gauges.We show that for both the bicircular fields,ionization rates are ... Ionization of atoms in counter-rotating and co-rotating bicircular laser fields is studied using the S-matrix theory in both length and velocity gauges.We show that for both the bicircular fields,ionization rates are enhanced when the two circularly polarized lights have comparable intensities.In addition,the curves of ionization rate versus the field amplitude ratio of the two colors for counter-rotating and co-rotating fields coincide with each other in the length gauge case at the total laser intensity 5×10^14 W/cm^2,which agrees with the experimental observation.Moreover,the degree of the coincidence between the ionization rate curves of the two bicircular fields decreases with the increasing field amplitude ratio and decreasing total laser intensity.With the help of the ADK theory,the above characteristics of the ionization rate curves can be well interpreted,which is related to the transition from the tunneling to multiphoton ionization mechanism. 展开更多
关键词 ABOVE-THRESHOLD ionization(ATI) bicircular laser fields LENGTH GAUGE VELOCITY GAUGE S-MATRIX theory
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Fast impurity solver for dynamical mean field theory based on second order perturbation around the atomic limit
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作者 庄嘉宁 刘青梅 +1 位作者 方忠 戴希 《Chinese Physics B》 SCIE EI CAS CSCD 2010年第8期535-542,共8页
This paper proposes an impurity solver for the dynamical mean field theory (DMFT) study of the Mott insulators, which is based on the second order perturbation of the hybridization function. After careful benchmarki... This paper proposes an impurity solver for the dynamical mean field theory (DMFT) study of the Mott insulators, which is based on the second order perturbation of the hybridization function. After careful benchmarking with quantum Monte Carlo results on the anti-ferromagnetic phase of the Hubbard model, it concludes that this impurity solver can capture the main physical features in the strong coupling regime and can be a very useful tool for the LDA (local density approximation) + DMFT studies of the Mort insulators with long range order. 展开更多
关键词 dynamical mean field theory impurity solver Mott insulator antiferromagnetic order
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Phase diagrams of spin-3/2 Ising model in the presence of random crystal field within the effective field theory based on two approximations
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作者 Ali Yigit Erhan Albayrak 《Chinese Physics B》 SCIE EI CAS CSCD 2013年第10期186-191,共6页
The bimodal random crystal field (A) effects are investigated on the phase diagrams of spin-3/2 Ising model by using the effective-field theory with correlations based on two approximations: the general van der Wae... The bimodal random crystal field (A) effects are investigated on the phase diagrams of spin-3/2 Ising model by using the effective-field theory with correlations based on two approximations: the general van der Waerden identity and the approximated van der Waerden identity. In our approach, the crystal field is either turned on or turned off randomly for a given probability p or q = 1 -p, respectively. Then the phase diagrams are constructed on the (A,kT/J) and (p,kT/J) planes for given p and A, respectively, when the coordination number is z = 3. Furthermore, the effect of randomization of the crystal field is illustrated on the (△,kT/J) plane for p = 0.5 when z - 3,4, and 6. All these are carried out for both approximations and then the results are compared to point out the differences. In addition to the lines of second-order phase transitions, the model also exhibits first-order phase transitions and the lines of which terminate at the isolated critical points for high p values. 展开更多
关键词 spin-3/2 random crystal field effective-field theory isolated critical point
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A Mean-Field Treatment in Studying Nuclear Matter Through a Thermodynamic Consistent Resummation Scheme
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作者 舒崧 李家荣 《Plasma Science and Technology》 SCIE EI CAS CSCD 2012年第5期379-382,共4页
We used the Cornwall, Jackiw and Tomboulis (CJT) resummation scheme to study nuclear matter. In the CJT formalism the meson propagators are treated as the bare propagators and the the higher order loop corrections o... We used the Cornwall, Jackiw and Tomboulis (CJT) resummation scheme to study nuclear matter. In the CJT formalism the meson propagators are treated as the bare propagators and the the higher order loop corrections of the thermodynamic potential are evaluated at the Hartree approximation, while the vacuum fluctuations are ignored. Under these treatments in the CJT formalism we derived exact mean-field theory (MFT) results for the nuclear matter. The results are thermodynamically consistent, and our study indicates that the MFT result is the lowest order resummation result in the CJT resummation scheme. The relation between CJT formalism and MFT is clearly presented through the calculations. 展开更多
关键词 nuclear matter finite-temperature field theory resummation scheme
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Investigations on Nuclei near Z = 82 in Relativistic Mean Field Theory with FSUGold
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作者 圣宗强 任中洲 《Plasma Science and Technology》 SCIE EI CAS CSCD 2012年第6期534-538,共5页
In this work, the ground-state properties of Pt, Hg, Pb, and Po isotopes have been systematically investigated in the deformed relativistic mean field (RMF) theory with the new parameter set FSUGold. The calculated ... In this work, the ground-state properties of Pt, Hg, Pb, and Po isotopes have been systematically investigated in the deformed relativistic mean field (RMF) theory with the new parameter set FSUGold. The calculated results show that FSUGold is as successful as NL3 in reproducing the ground-state binding energies of the nuclei in this region. The calculated two- neutron separation energies, quadrupole deformations, and root-mean-square charge radii are in agreement with the experimental data. The parameter set FSUGold can successfully describe the shell effect of the neutron magic number N = 126 and give smaller neutron skin thicknesses than NL3 for all the nuclei considered. 展开更多
关键词 relativistic mean field theory parameter set FSUGold binding energy DEFORMATION
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Inverse scattering method and soliton solution family for the Einstein-Maxwell theory with multiple Abelian gauge fields
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作者 高亚军 《Chinese Physics B》 SCIE EI CAS CSCD 2008年第10期3574-3579,共6页
A Hauser-Ernst-type extended hyperbolic complex linear system given in our previous paper [Gao Y J 2004 Chin. Phys. 13 602] is slightly modified and used to develop a new inverse scattering method for the stationary a... A Hauser-Ernst-type extended hyperbolic complex linear system given in our previous paper [Gao Y J 2004 Chin. Phys. 13 602] is slightly modified and used to develop a new inverse scattering method for the stationary axisymmetric Einstein-Maxwell theory with multiple Abelian gauge fields. The reduction procedures in this inverse scattering method are found to be fairly simple, which makes the inverse scattering method be fine and effective in practical application. As an example, a concrete family of soliton solutions for the considered theory is obtained. 展开更多
关键词 Einstein-Maxwell theory with multiple Abelian gauge fields inverse scattering method soliton solution family
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Discovering exact,gauge-invariant,local energy–momentum conservation laws for the electromagnetic gyrokinetic system by high-order field theory on heterogeneous manifolds
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作者 Peifeng FAN Hong QIN Jianyuan XIAO 《Plasma Science and Technology》 SCIE EI CAS CSCD 2021年第10期120-136,共17页
Gyrokinetic theory is arguably the most important tool for numerical studies of transport physics in magnetized plasmas.However,exact local energy–momentum conservation laws for the electromagnetic gyrokinetic system... Gyrokinetic theory is arguably the most important tool for numerical studies of transport physics in magnetized plasmas.However,exact local energy–momentum conservation laws for the electromagnetic gyrokinetic system have not been found despite continuous effort.Without such local conservation laws,energy and momentum can be instantaneously transported across spacetime,which is unphysical and casts doubt on the validity of numerical simulations based on the gyrokinetic theory.The standard Noether procedure for deriving conservation laws from corresponding symmetries does not apply to gyrokinetic systems because the gyrocenters and electromagnetic field reside on different manifolds.To overcome this difficulty,we develop a high-order field theory on heterogeneous manifolds for classical particle-field systems and apply it to derive exact,local conservation laws,in particular the energy–momentum conservation laws,for the electromagnetic gyrokinetic system.A weak Euler–Lagrange(EL)equation is established to replace the standard EL equation for the particles.It is discovered that an induced weak EL current enters the local conservation laws,and it is the new physics captured by the high-order field theory on heterogeneous manifolds.A recently developed gauge-symmetrization method for high-order electromagnetic field theories using the electromagnetic displacement-potential tensor is applied to render the derived energy–momentum conservation laws electromagnetic gauge-invariant. 展开更多
关键词 electromagnetic gyrokinetic system high-order field theory heterogeneous manifolds exact local energy–momentum conservation laws weak Euler–Lagrange equation gauge-invariant theory
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High-order field theory and a weak Euler–Lagrange–Barut equation for classical relativistic particle-field systems
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作者 范培锋 陈强 +1 位作者 肖建元 于治 《Plasma Science and Technology》 SCIE EI CAS CSCD 2023年第11期42-54,共13页
In both quantum and classical field systems,conservation laws such as the conservation of energy and momentum are widely regarded as fundamental properties.A broadly accepted approach to deriving conservation laws is ... In both quantum and classical field systems,conservation laws such as the conservation of energy and momentum are widely regarded as fundamental properties.A broadly accepted approach to deriving conservation laws is built using Noether's method.However,this procedure is still unclear for relativistic particle-field systems where particles are regarded as classical world lines.In the present study,we establish a general manifestly covariant or geometric field theory for classical relativistic particle-field systems.In contrast to quantum systems,where particles are viewed as quantum fields,classical relativistic particle-field systems present specific challenges.These challenges arise from two sides.The first comes from the mass-shell constraint.To deal with the mass-shell constraint,the Euler–Lagrange–Barut(ELB)equation is used to determine the particle's world lines in the four-dimensional(4D)Minkowski space.Besides,the infinitesimal criterion,which is a differential equation in formal field theory,is reconstructed by an integro-differential form.The other difficulty is that fields and particles depend on heterogeneous manifolds.To overcome this challenge,we propose using a weak version of the ELB equation that allows us to connect local conservation laws and continuous symmetries in classical relativistic particle-field systems.By applying a weak ELB equation to classical relativistic particle-field systems,we can systematically derive local conservation laws by examining the underlying symmetries of the system.Our proposed approach provides a new perspective on understanding conservation laws in classical relativistic particle-field systems. 展开更多
关键词 high-order field theory weak Euler-Lagrange-Barut equation infinitesimal criterion of symmetric condition Noether's theorem geometric conservation laws
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FLAT SUPERSYMMETRIC SPACE-TIME AND THE THEORY OF SUPER FIELDS
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作者 张厉宁 《Acta Mathematica Scientia》 SCIE 1985年第4期371-378,共8页
Flat supersymmetric space-time (x, θ) has been discussed under assumption that the Fermi variables are symplectic vectors only. We have abandoned the traditional assumption, that it must be the spinor representation ... Flat supersymmetric space-time (x, θ) has been discussed under assumption that the Fermi variables are symplectic vectors only. We have abandoned the traditional assumption, that it must be the spinor representation of Lorentz group, which makes in the usual theory of supersymmetry.The even and odd generators of the ortho-symplectic group OS_p(414) have been calculated concretely in its dyads representation.New superfields, Lagrangian and the action integral, different from the usual theory, have been introduced in this flat case. 展开更多
关键词 FLAT SUPERSYMMETRIC SPACE-TIME AND THE theory OF SUPER fieldS
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