A basic calculation procedure for the MOSMO method under CNDO/2 approximation is presented in this paper,and performed by using the same parameters as those used in the ordinary CNDO/2 LCAO-MO calculation.The calculat...A basic calculation procedure for the MOSMO method under CNDO/2 approximation is presented in this paper,and performed by using the same parameters as those used in the ordinary CNDO/2 LCAO-MO calculation.The calculated results on the whole are close to those obtained by use of the ordinary CNDO/2 LCAO-MO calculation,illustrating that the presented procedure is reasonable.Due to its simplicity,the presented calculation procedure may be feasible even in very large molecular s ystems.展开更多
We study some approximation properties of Lagrange interpolation polynomial based on the zeros of (1-x^2)cosnarccosx. By using a decomposition for f(x) ∈ C^τC^τ+1 we obtain an estimate of ‖f(x) -Ln+2(f, ...We study some approximation properties of Lagrange interpolation polynomial based on the zeros of (1-x^2)cosnarccosx. By using a decomposition for f(x) ∈ C^τC^τ+1 we obtain an estimate of ‖f(x) -Ln+2(f, x)‖ which reflects the influence of the position of the x's and ω(f^(r+1),δ)j,j = 0, 1,... , s,on the error of approximation.展开更多
The standard distorted wave Born approximation (DWBA) method has been extended to second-order Born amplitude in order to describe the multiple interactions between the projectile and the atomic target. Second-order...The standard distorted wave Born approximation (DWBA) method has been extended to second-order Born amplitude in order to describe the multiple interactions between the projectile and the atomic target. Second-order DWBA calculations have been preformed to investigate the triple differential cross sections (TDCS) of coplanar doubly symmetric (e, 2e) collisions for the alkali target potassium at excess energies of 6 eV-60 eV. Compared with the previous first-order DWBA calculations, the present theoretical model improves the degree of agreement with experiments, especially for the backward scattering angle region of TDCS. This indicates that the present second-order Born term is capable of giving a reasonable correction to the DWBA model in studying coplanar symmetric (e, 2e) problems in low and intermediate energy ranges.展开更多
The electronic and optical properties of TiS2 are studied of density functional theory. A linearized and augmented by using an ab-initio calculation within the frame plane wave basis set with the generalized gradient ...The electronic and optical properties of TiS2 are studied of density functional theory. A linearized and augmented by using an ab-initio calculation within the frame plane wave basis set with the generalized gradient approximation as proposed by Perdew et al. is used for the energy exchange-correlation determination. The results show a metallic character of TiS2, and the plots of total and partial densities of states of TiS2 show the metallic character of the bonds and a strong hybridization between the states d of Ti and p of S below the Fermi energy. The optical properties of the material such as real and imaginary parts of dielectric constant (ε(w) = ε1(w) + iε2(w)), refractive index n(w), optical reflectivity R(w), for E / /x and E / /z are performed for the energy range of 0-.14 eV.展开更多
In this paper,we propose improved approaches for two-dimensional(2 D) direction-of-arrival(DOA) estimation for a uniform rectangular array(URA).Unlike the conventional eigenstructure-based estimation approaches such a...In this paper,we propose improved approaches for two-dimensional(2 D) direction-of-arrival(DOA) estimation for a uniform rectangular array(URA).Unlike the conventional eigenstructure-based estimation approaches such as Multiple Signals Classification(MUSIC) and Estimation of Signal Parameters via Rotational Invariance Technique(ESPRIT),the proposed approaches estimate signal and noise subspaces with Nystr?m approximation,which only need to calculate two sub-matrices of the whole sample covariance matrix and avoid the need to directly calculate the eigenvalue decomposition(EVD) of the sample covariance matrix.Hence,the proposed approaches can improve the computational efficiency greatly for large-scale URAs.Numerical results verify the reliability and efficiency of the proposed approaches.展开更多
Thermodynamic properties of the mixed spin-1 and spin-1/2 Ising-Heisenberg model are studied on a honeycomb lattice using a new approach in the mean-field approximation to analyze the effects of longitudinal Dz and tr...Thermodynamic properties of the mixed spin-1 and spin-1/2 Ising-Heisenberg model are studied on a honeycomb lattice using a new approach in the mean-field approximation to analyze the effects of longitudinal Dz and transverse Dx crystal fields. The phase diagrams are calculated in detail by studying the thermal variations of the order parameters, i.e., magnetizations and quadrupole moments, and compared with the literature to assess the reliability of the new approach. It is found that the model yields both second- and first-order phase transitions, and tricritical points. The compensation behavior of the model is also investigated for the sublattice magnetizations, and longitudinal and transverse quadrupolar moments. The latter type of compensation is observed in the literature but its possible importance is overlooked.展开更多
In this paper, the(2+1)-dimensional perturbed Boussinesq equation is transformed into a series of two-dimensional(2 D) similarity reduction equations by using the approximate symmetry method. A step-by-step proce...In this paper, the(2+1)-dimensional perturbed Boussinesq equation is transformed into a series of two-dimensional(2 D) similarity reduction equations by using the approximate symmetry method. A step-by-step procedure is used to acquire Jacobi elliptic function solutions to these similarity equations, which generate the truncated series solutions to the original perturbed Boussinesq equation. Aside from some singular area, the series solutions are convergent when the perturbation parameter is diminished.展开更多
The (e, 2e) triple differential cross sections of 2s orbitals of neon and neonic ions (Z = 11-14) are calculated using a distorted-wave Born approximation under coplanar asymmetric geometry. The calculated results...The (e, 2e) triple differential cross sections of 2s orbitals of neon and neonic ions (Z = 11-14) are calculated using a distorted-wave Born approximation under coplanar asymmetric geometry. The calculated results show that, with the increase in the nuclear charge number Z, the amplitude of triple differential cross sections decreases. The angle difference between the binary peak position and the direction of momentum transfer gradually increases with the increase in the nuclear charge Z, and a new structure appears at an ejected angle 90° 〈 θ2 〈 120°. Three kinds of collision processes are proposed to illustrate the formation mechanism of such collision peaks.展开更多
In this paper, we consider the general linear hypothesis testing (GLHT) problem in heteroscedastic one-way MANOVA. The well-known Wald-type test statistic is used. Its null distribution is approximated by a Hotelling ...In this paper, we consider the general linear hypothesis testing (GLHT) problem in heteroscedastic one-way MANOVA. The well-known Wald-type test statistic is used. Its null distribution is approximated by a Hotelling T2 distribution with one parameter estimated from the data, resulting in the so-called approximate Hotelling T2 (AHT) test. The AHT test is shown to be invariant under affine transformation, different choices of the contrast matrix specifying the same hypothesis, and different labeling schemes of the mean vectors. The AHT test can be simply conducted using the usual F-distribution. Simulation studies and real data applications show that the AHT test substantially outperforms the test of [1] and is comparable to the parametric bootstrap (PB) test of [2] for the multivariate k-sample Behrens-Fisher problem which is a special case of the GLHT problem in heteroscedastic one-way MANOVA.展开更多
The joint resource block(RB)allocation and power optimization problem is studied to maximize the sum-rate of the vehicle-to-vehicle(V2V)links in the device-to-device(D2D)-enabled V2V communication system,where one fea...The joint resource block(RB)allocation and power optimization problem is studied to maximize the sum-rate of the vehicle-to-vehicle(V2V)links in the device-to-device(D2D)-enabled V2V communication system,where one feasible cellular user(FCU)can share its RB with multiple V2V pairs.The problem is first formulated as a nonconvex mixed-integer nonlinear programming(MINLP)problem with constraint of the maximum interference power in the FCU links.Using the game theory,two coalition formation algorithms are proposed to accomplish V2V link partitioning and FCU selection,where the transferable utility functions are introduced to minimize the interference among the V2V links and the FCU links for the optimal RB allocation.The successive convex approximation(SCA)is used to transform the original problem into a convex one and the Lagrangian dual method is further applied to obtain the optimal transmit power of the V2V links.Finally,numerical results demonstrate the efficiency of the proposed resource allocation algorithm in terms of the system sum-rate.展开更多
文摘A basic calculation procedure for the MOSMO method under CNDO/2 approximation is presented in this paper,and performed by using the same parameters as those used in the ordinary CNDO/2 LCAO-MO calculation.The calculated results on the whole are close to those obtained by use of the ordinary CNDO/2 LCAO-MO calculation,illustrating that the presented procedure is reasonable.Due to its simplicity,the presented calculation procedure may be feasible even in very large molecular s ystems.
基金Supported by the National Nature Science Foundation.
文摘We study some approximation properties of Lagrange interpolation polynomial based on the zeros of (1-x^2)cosnarccosx. By using a decomposition for f(x) ∈ C^τC^τ+1 we obtain an estimate of ‖f(x) -Ln+2(f, x)‖ which reflects the influence of the position of the x's and ω(f^(r+1),δ)j,j = 0, 1,... , s,on the error of approximation.
基金Project supported by the National Natural Science Foundation of China (Grant No. 11174066)
文摘The standard distorted wave Born approximation (DWBA) method has been extended to second-order Born amplitude in order to describe the multiple interactions between the projectile and the atomic target. Second-order DWBA calculations have been preformed to investigate the triple differential cross sections (TDCS) of coplanar doubly symmetric (e, 2e) collisions for the alkali target potassium at excess energies of 6 eV-60 eV. Compared with the previous first-order DWBA calculations, the present theoretical model improves the degree of agreement with experiments, especially for the backward scattering angle region of TDCS. This indicates that the present second-order Born term is capable of giving a reasonable correction to the DWBA model in studying coplanar symmetric (e, 2e) problems in low and intermediate energy ranges.
文摘The electronic and optical properties of TiS2 are studied of density functional theory. A linearized and augmented by using an ab-initio calculation within the frame plane wave basis set with the generalized gradient approximation as proposed by Perdew et al. is used for the energy exchange-correlation determination. The results show a metallic character of TiS2, and the plots of total and partial densities of states of TiS2 show the metallic character of the bonds and a strong hybridization between the states d of Ti and p of S below the Fermi energy. The optical properties of the material such as real and imaginary parts of dielectric constant (ε(w) = ε1(w) + iε2(w)), refractive index n(w), optical reflectivity R(w), for E / /x and E / /z are performed for the energy range of 0-.14 eV.
基金supported by"the Fundamental Research Funds for the Central Universities No.2017JBM016"
文摘In this paper,we propose improved approaches for two-dimensional(2 D) direction-of-arrival(DOA) estimation for a uniform rectangular array(URA).Unlike the conventional eigenstructure-based estimation approaches such as Multiple Signals Classification(MUSIC) and Estimation of Signal Parameters via Rotational Invariance Technique(ESPRIT),the proposed approaches estimate signal and noise subspaces with Nystr?m approximation,which only need to calculate two sub-matrices of the whole sample covariance matrix and avoid the need to directly calculate the eigenvalue decomposition(EVD) of the sample covariance matrix.Hence,the proposed approaches can improve the computational efficiency greatly for large-scale URAs.Numerical results verify the reliability and efficiency of the proposed approaches.
文摘Thermodynamic properties of the mixed spin-1 and spin-1/2 Ising-Heisenberg model are studied on a honeycomb lattice using a new approach in the mean-field approximation to analyze the effects of longitudinal Dz and transverse Dx crystal fields. The phase diagrams are calculated in detail by studying the thermal variations of the order parameters, i.e., magnetizations and quadrupole moments, and compared with the literature to assess the reliability of the new approach. It is found that the model yields both second- and first-order phase transitions, and tricritical points. The compensation behavior of the model is also investigated for the sublattice magnetizations, and longitudinal and transverse quadrupolar moments. The latter type of compensation is observed in the literature but its possible importance is overlooked.
基金Project supported by the National Natural Science Foundation of China(Grant No.11505094)the Natural Science Foundation of Jiangsu Province,China(Grant No.BK20150984)
文摘In this paper, the(2+1)-dimensional perturbed Boussinesq equation is transformed into a series of two-dimensional(2 D) similarity reduction equations by using the approximate symmetry method. A step-by-step procedure is used to acquire Jacobi elliptic function solutions to these similarity equations, which generate the truncated series solutions to the original perturbed Boussinesq equation. Aside from some singular area, the series solutions are convergent when the perturbation parameter is diminished.
基金Project supported by the Fundamental Research Funds for the Central University of China(Grant No.13CX02019A)
文摘The (e, 2e) triple differential cross sections of 2s orbitals of neon and neonic ions (Z = 11-14) are calculated using a distorted-wave Born approximation under coplanar asymmetric geometry. The calculated results show that, with the increase in the nuclear charge number Z, the amplitude of triple differential cross sections decreases. The angle difference between the binary peak position and the direction of momentum transfer gradually increases with the increase in the nuclear charge Z, and a new structure appears at an ejected angle 90° 〈 θ2 〈 120°. Three kinds of collision processes are proposed to illustrate the formation mechanism of such collision peaks.
文摘In this paper, we consider the general linear hypothesis testing (GLHT) problem in heteroscedastic one-way MANOVA. The well-known Wald-type test statistic is used. Its null distribution is approximated by a Hotelling T2 distribution with one parameter estimated from the data, resulting in the so-called approximate Hotelling T2 (AHT) test. The AHT test is shown to be invariant under affine transformation, different choices of the contrast matrix specifying the same hypothesis, and different labeling schemes of the mean vectors. The AHT test can be simply conducted using the usual F-distribution. Simulation studies and real data applications show that the AHT test substantially outperforms the test of [1] and is comparable to the parametric bootstrap (PB) test of [2] for the multivariate k-sample Behrens-Fisher problem which is a special case of the GLHT problem in heteroscedastic one-way MANOVA.
基金the National Natural Scientific Foundation of China(61771291,61571272)the Major Science and Technological Innovation Project of Shandong Province(2020CXGC010109).
文摘The joint resource block(RB)allocation and power optimization problem is studied to maximize the sum-rate of the vehicle-to-vehicle(V2V)links in the device-to-device(D2D)-enabled V2V communication system,where one feasible cellular user(FCU)can share its RB with multiple V2V pairs.The problem is first formulated as a nonconvex mixed-integer nonlinear programming(MINLP)problem with constraint of the maximum interference power in the FCU links.Using the game theory,two coalition formation algorithms are proposed to accomplish V2V link partitioning and FCU selection,where the transferable utility functions are introduced to minimize the interference among the V2V links and the FCU links for the optimal RB allocation.The successive convex approximation(SCA)is used to transform the original problem into a convex one and the Lagrangian dual method is further applied to obtain the optimal transmit power of the V2V links.Finally,numerical results demonstrate the efficiency of the proposed resource allocation algorithm in terms of the system sum-rate.