974 resultados para SCHRODINGER PERTURBATION-THEORY
Resumo:
The dynamic effect of electrons in a double quantum well under the influence of a monochromatic driving laser field is investigated. Closed-form solutions for the quasienergy and Floquet states are obtained with the help of SU(2) symmetry. For the case of weak interlevel coupling, explicit expressions of the quasienergy are presented by the use of perturbation theory, from which it is found that as long as the photon energy is not close to the tunnel splitting, the electron will be confined in an initially occupied eigenstate of the undriven system during the whole evolution process. Otherwise, it will transit between the lowest two levels in an oscillatory behavior.
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We present the theoretical results of the electronic band structure of wurtzite GaN films under biaxial strains in the (11 (2) over bar2)-plane The calculations are performed by the kappa p perturbation theory approach through using the effective-mass Hamiltonian for an arbitrary direction The results show that the transition energies decrease with the biaxial strains changing from -0 5% to 0 5% For films of (11 (2) over bar2)-plane, the strains are expected to be anisotropic in the growth plane Such anisotropic strains give rise to valence band mixing which results in dramatic change in optical polarisation property The strain can also result in optical polarisation switching phenomena Finally, we discuss the applications of these properties to the (11 (2) over bar2) plane GaN based light emitting diode and lase diode
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Based on the relativistic chiral effective field theory, we study the effective mass of the Delta-resonance in medium by investigating the self-energy of the Delta-resonance related to the pi N decay channel in symmetric nuclear matter. We find that the effective mass of Delta-resonance decreases evidently with increasing nuclear density rho. In our calculation, we also consider the influence of the shifts of the nucleon mass, pion mass and its decay constant due to the restoration of chiral symmetry in medium. The results are roughly consistent with the data given by Lawrence Berkeley National Laboratory.
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The relation between the input impedance and the characteristic parameters of a cavity, such as the resonance frequency, shunt impedance and. the quality factor, has been obtained based on the equivalent circuit of the cavity and the coupling system. Using the matching condition, the ratio of coupling capacitance to the equivalent capacitance of the cavity can be acquired as a function of the characteristic parameters of the cavity, the value of the coupling capacitance can be obtained with a help of a numerical simulation and the perturbation theory, and then the perfect matching between the cavity and the transmission line can be procured. The application of these results on a model cavity is presented too.
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In this work, we systematically study the interaction of D* and nucleon, which is stimulated by the observation of Lambda(c)(2940)(+) close to the threshold of D* p. Our numerical result obtained by the dynamical investigation indicates the existence of the D* N systems with J(P) = 1/2(+/-), 3/2(+/-), which not only provides valuable information to understand the underlying structure of Lambda(c)(2940)(+) but also improves our knowledge of the interaction of D* and nucleon. Additionally, the bottom partners of the D* N systems are predicted, which might be as one of the tasks in LHCb experiment.
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In this work, we discuss the contribution of the mesonic loops to the decay rates of chi(c1) -> phi phi, omega omega, which are suppressed by the helicity selection rules and chi(c1) -> phi omega, which is a double- Okubo- ZweigIizuka forbidden process. We find that the mesonic loop effects naturally explain the clear signals of chi(c1) -> phi phi, omega omega decay modes observed by the BES Collaboration. Moreover, we investigate the effects of the omega - phi mixing, which may result in the order of magnitude of the branching ratio BR(chi(c1) -> omega phi) being 10(-7). Thus, we are waiting for the accurate measurements of the BR(chi(c1) -> omega omega), BR(chi(c1) -> phi phi) and BR(chi(c1) -> omega phi) which may be very helpful for testing the long- distant contribution and the omega - phi mixing in chi(c1) -> phi phi, omega omega, omega phi decays.
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Within the framework of a nonlinear chiral Lagrangian we explore the nontrivial nature of f(0)(600) and f(0)(1370) in terms of quarkonium, tetraquark and gluonium components. The mass constraints are obtained and the strong and radiative partial widths are calculated to demonstrate and discriminate these components. The static properties of f(0)(1500) and glueball are also studied. Our results are confronted with the experimental and theoretical data available as well as the upcoming measurements. (C) 2010 Elsevier B.V. All rights reserved.
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The structures, properties and electron transfer reactivity of the ClO/ClO+ coupling system are studied in this paper at ab initio (HF and MP2) levels and the density functional theory (DFT: B3LYP, B3P86, B3PW91) levels employing 6311 + G(3df) basis set and on the basis of the golden-rule of the time-dependent perturbation theory. Investigations indicate that the results got from the B3LYP method employing 6-311 + G(3df) basis set is in excellent agreement with the experiment. The activation energies, the stabilization energies and the electronic coupling matrix elements have also been calculated by using the B3LYP/6-311 + G(3df) method, and then the electron transfer rates are determined at this level. The electronic coupling matrix element of EC.6 is very small, only 0.03 kcal/mol, while that of EC.7 is the biggest, being 12.41 kcal/mol, the corresponding electron transfer rate is also the fastest among these seven encounter complexes. The averaged electron transfer rate is about 1.672 X 10(11) M-1 s(-1). It is indicated that the structures optimized by B3LYP method are more reliable than the results got from the other four methods. It also testified that the electronic coupling matrix element is the vital factor that significantly affects the electron transfer rate. (C) 2003 Elsevier B.V. All rights reserved.
Resumo:
The structures, properties and electron transfer reactivity of the ClO/ClO- coupling system are studied in this paper at ab initio (UHF and UMP2) levels and the Density Functional Theory (DFT: UB3LYP, UB3P86, UB3PW91) levels employing 6311 + G(3df) basis set and on the basis of the Golden-rule of the time-dependent perturbation theory. Investigations indicate that the results obtained using the UB3LYP method employing 6-311 + G(3df) basis set is in excellent agreement with the experiment. For this coupling system, six stable coupling modes have been found which correspond to six different encounter complexes and denote six different electron transfer mechanism: four O-O directly linked structures (one collinear: D-h, one anti-parallel: C-s, two twist: C-2) and two Cl-O linked structures (cis- and anti- C-s structures). The activation energies, the stabilization energies and the electronic coupling matrix elements have also been calculated for the electron transfer reactions via these six different mechanism at the UB3LYP/6-311 + G(3df) level, and then the electron transfer rates are determined at the same level. The most favorable coupling mode to the electron transfer is the anti-parallel mechanism. The averaged electron transfer rate is about 5.58 X 10(11) M-1 s(-1). It is also implied that the B3LYP method can give more reasonable results for the electron transfer reactivity of this system. (C) 2003 Elsevier B.V. All rights reserved.
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The theoretical model of collisional quantum interference (CQI) in intramolecular rotational energy transfer is described in an atom-diatom system, based on the first Born approximation of time-dependent perturbation theory and considering a long-range interaction potential. The relation between differential and integral interference angles is obtained. For the CO A(1)Pi (v = 0)/e(3)Sigma (-)(v = 1)-He collision system, the calculated integral interference angles are consistent with the experimental values. The physical significance of interference angle and the essential factors it depends on as well as the influence of the short-range interaction on CQI are discussed. (C) 2001 Elsevier Science B.V. All rights reserved.
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A theoretical model of collisional quantum interference (CQI) is developed in a diatom-diatom system based on the first-order Born approximation of time-dependent perturbation theory and the multipolar interaction potential. The transition cross section is obtained. The relations between the differential and integral interference angles are discussed. The key factors on the determination of the differential and integral interference angles are obtained. The changing tendency of the interference angles with the experimental temperatures is obtained.
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本文对广义最佳鉴别矢量的求解方法进行研究 ,根据矩阵的扰动理论 ,改进了郭提出的求解广义最佳鉴别矢量的一种迭代算法 ,提出了求解广义最佳鉴别矢量的一种新的迭代算法 .本文算法的一个突出优点是随着类别数目的增加 ,计算时间反而缩短 ;而老算法随着类别数目的增加计算时间随着增加 ;不仅如此 ,新算法的识别率不劣于老算法 .在 ORL人脸数据库的数值实验 ,验证了上述论断的正确性
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A major impetus to study the rough surface and complex structure in near surface model is because accuracy of seismic observation and geophysical prospecting can be improved. Wave theory study about fluid-satuated porous media has important significance for some scientific problems, such as explore underground resources, study of earth's internal structure, and structure response of multi-phase porous soil under dynamic and seismic effect. Seismic wave numerical modeling is one of the effective methods which understand seismic propagation rules in complex media. As a numerical simulation method, boundary element methods had been widely used in seismic wave field study. This paper mainly studies randomly rough surface scattering which used some approximation solutions based on boundary element method. In addition, I developed a boundary element solution for fluid saturated porous media. In this paper, we used boundary element methods which based on integral expression of wave equation to study the free rough surface scattering effects of Kirchhoff approximation method, Perturbation approximation method, Rytov approximation method and Born series approximation method. Gaussian spectrum model of randomly rough surfaces was chosen as the benchmark model. The approximation methods result were compared with exact results which obtained by boundary element methods, we study that the above approximation methods were applicable how rough surfaces and it is founded that this depends on and ( here is the wavenumber of the incident field, is the RMS height and is the surface correlation length ). In general, Kirchhoff approximation which ignores multiple scatterings between any two surface points has been considered valid for the large-scale roughness components. Perturbation theory based on Taylor series expansion is valid for the small-scale roughness components, as and are .Tests with the Gaussian topographies show that the Rytov approximation methods improves the Kirchhoff approximation in both amplitude and phase but at the cost of an extra treatment of transformation for the wave fields. The realistic methods for the multiscale surfaces come with the Born series approximation and the second-order Born series approximation might be sufficient to guarantee the accuracy of randomly rough surfaces. It could be an appropriate choice that a complex rough surface can be divided into large-, medium-, and small-scale roughness components with their scattering features be studied by the Kirchhoff or Rytov phase approximations, the Born series approximation, and the perturbation theory, respectively. For this purpose, it is important to select appropriate parameters that separate these different scale roughness components to guarantee the divided surfaces satisfy the physical assumptions of the used approximations, respectively. In addition, in this paper, the boundary element methods are used for solving the porous elastic wave propagation and carry out the numerical simulation. Based on the fluid-saturated porous model, this paper analyses and presents the dynamic equation of elastic wave propagation and boundary integral equation formulation of fluid saturated porous media in frequency domain. The fundamental solutions of the elastic wave equations are obtained according to the similarity between thermoelasticity and poroelasticity. At last, the numerical simulation of the elastic wave propagation in the two-phase isotropic media is carried out by using the boundary element method. The results show that a slow quasi P-wave can be seen in both solid and fluid wave-field synthetic seismograms. The boundary element method is effective and feasible.
Resumo:
Gough, John, 'Quantum Stratonovich Stochastic Calculus and the Quantum Wong-Zakai Theorem', Journal of Mathematical Physics. 47, 113509, (2006)
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This PhD thesis concerns the computational modeling of the electronic and atomic structure of point defects in technologically relevant materials. Identifying the atomistic origin of defects observed in the electrical characteristics of electronic devices has been a long-term goal of first-principles methods. First principles simulations are performed in this thesis, consisting of density functional theory (DFT) supplemented with many body perturbation theory (MBPT) methods, of native defects in bulk and slab models of In0.53Ga0.47As. The latter consist of (100) - oriented surfaces passivated with A12O3. Our results indicate that the experimentally extracted midgap interface state density (Dit) peaks are not the result of defects directly at the semiconductor/oxide interface, but originate from defects in a more bulk-like chemical environment. This conclusion is reached by considering the energy of charge transition levels for defects at the interface as a function of distance from the oxide. Our work provides insight into the types of defects responsible for the observed departure from ideal electrical behaviour in III-V metal-oxidesemiconductor (MOS) capacitors. In addition, the formation energetics and electron scattering properties of point defects in carbon nanotubes (CNTs) are studied using DFT in conjunction with Green’s function based techniques. The latter are applied to evaluate the low-temperature, low-bias Landauer conductance spectrum from which mesoscopic transport properties such as the elastic mean free path and localization length of technologically relevant CNT sizes can be estimated from computationally tractable CNT models. Our calculations show that at CNT diameters pertinent to interconnect applications, the 555777 divacancy defect results in increased scattering and hence higher electrical resistance for electron transport near the Fermi level.