Carbon sulfide cation(CS^+) plays a dominant role in some astrophysical atmosphere environments. In this work, the rovibrational transition lines are computed for the lowest three electronic states, in which the inter...
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Carbon sulfide cation(CS^+) plays a dominant role in some astrophysical atmosphere environments. In this work, the rovibrational transition lines are computed for the lowest three electronic states, in which the internally contracted multireference configuration interaction approach(MRCI) with Davison size-extensivity correction(+Q) is employed to calculate the potential curves and dipole moments, and then the vibrational energies and spectroscopic constants are extracted. The Frank–Condon factors are calculated for the bands of X^2^+Σ^+–A^2Π and X^2Σ^+–B^2Σ^+systems, and the band of X^2Σ^+–A^2Π is in good agreement with the available experimental results. Transition dipole moments and the radiative lifetimes of the low-lying three states are evaluated. The opacities of the CS^+ molecule are computed at different temperatures under the pressure of 100 atms. It is found that as temperature increases, the band systems associated with different transitions for the three states become dim because of the increased population on the vibrational states and excited electronic states at high temperature.
Some integral identities of smooth solution of inhomogeneous initial boundary value problem of Ginzburg-Landau equations were deduced, by which a priori estimates of the square norm on boundary of normal derivative an...
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Some integral identities of smooth solution of inhomogeneous initial boundary value problem of Ginzburg-Landau equations were deduced, by which a priori estimates of the square norm on boundary of normal derivative and the square norm of partial derivatives were obtained. Then the existence of global weak solution of inhomogeneous initial-boundary value problem of Ginzburg-Landau equations was proved by the method of approximation technique and a priori estimates and making limit.
We consider a family of three-dimensional, volume preserving maps depending on a small parameter epsilon. As epsilon --> 0+ these maps asymptote to flows which attain a heteroclinic connection. We show that for sma...
We consider a family of three-dimensional, volume preserving maps depending on a small parameter epsilon. As epsilon --> 0+ these maps asymptote to flows which attain a heteroclinic connection. We show that for small epsilon the heteroclinic connection breaks up and that the splitting between its components scales with epsilon like epsilon(gamma) exp(-beta/epsilon). We estimate beta using the singularities of the epsilon --> 0+ heteroclinic orbit in the complex plane. We then estimate gamma using linearization about orbits in the complex plane. While these estimates are not proven, they are well supported by our numerical calculations. The work described here is a special case of the theory derived by Amick et al. which applies to q-dimensional volume preserving mappings.
We describe size-varying cylindrical particles made from silicone elastomers that can serve as building blocks for robotic granular materials. The particle size variation, which is achieved by inflation, gives rise to...
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The initial value problem for the quantum Zakharov equation in three di- mensions is studied. The existence and uniqueness of a global smooth solution are proven with coupled a priori estimates and the Galerkin method.
The initial value problem for the quantum Zakharov equation in three di- mensions is studied. The existence and uniqueness of a global smooth solution are proven with coupled a priori estimates and the Galerkin method.
The Boussinesq approximation finds more and more frequent use in geologi- cal practice. In this paper, the asymptotic behavior of solution for fractional Boussinesq approximation is studied. After obtaining some a pri...
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The Boussinesq approximation finds more and more frequent use in geologi- cal practice. In this paper, the asymptotic behavior of solution for fractional Boussinesq approximation is studied. After obtaining some a priori estimates with the aid of eommu- tator estimate, we apply the Galerkin method to prove the existence of weak solution in the case of periodic domain. Meanwhile, the uniqueness is also obtained. Because the results obtained are independent of domain, the existence and uniqueness of the weak solution for Cauchy problem is also true. Finally, we use the Fourier splitting method to prove the decay of weak solution in three cases respectively.
The concept of mathematical stencil and the strategy of stencil elimination for solving the finite difference equation is presented, and then a new type of the iteration algorithm is established for the Poisson equati...
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The concept of mathematical stencil and the strategy of stencil elimination for solving the finite difference equation is presented, and then a new type of the iteration algorithm is established for the Poisson equation. The new algorithm has not only the obvious property of parallelism, but also faster convergence rate than that of the classical Jacobi iteration. Numerical experiments show that the time for the new algorithm is less than that of Jacobi and Gauss-Seidel methods to obtain the same precision, and the computational velocity increases obviously when the new iterative method, instead of Jacobi method, is applied to polish operation in multi-grid method, furthermore, the polynomial acceleration method is still applicable to the new iterative method.
The dissipative quantum Zakharov equations are mainly studied. The ex- istence and uniqueness of the solutions for the dissipative quantum Zakharov equations are proved by the standard Galerkin approximation method on...
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The dissipative quantum Zakharov equations are mainly studied. The ex- istence and uniqueness of the solutions for the dissipative quantum Zakharov equations are proved by the standard Galerkin approximation method on the basis of a priori esti- mate. Meanwhile, the asymptotic behavior of solutions and the global attractor which is constructed in the energy space equipped with the weak topology are also investigated.
We study the semi-classical limit of the Schro¨dinger equation in a crystal in the presence of an external potential and magnetic field. We first introduce the Bloch-Wigner transform and derive the asymptotic equ...
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We study the semi-classical limit of the Schro¨dinger equation in a crystal in the presence of an external potential and magnetic field. We first introduce the Bloch-Wigner transform and derive the asymptotic equations governing this transform in the semi-classical setting. For the second part, we focus on the appearance of the Berry curvature terms in the asymptotic equations. These terms play a crucial role in many important physical phenomena such as the quantum Hall effect. We give a simple derivation of these terms in different settings using asymptotic analysis.
By performing density functional theory plus U calculations, we systematically study the structural, electronic, and magnetic properties of U02 under uniaxial tensile strain. The results show that the ideal tensile st...
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By performing density functional theory plus U calculations, we systematically study the structural, electronic, and magnetic properties of U02 under uniaxial tensile strain. The results show that the ideal tensile strengths along the [100], [110], and [111] directions are 93.6, 2Z7, and 16.4 GPa at strains of 0.44, 0.24, and 0.16, respectively. After electronic-structure investigation for tensile stain along the [001] direction, we find that the strong mixed ionic/covalent character of U-O bond is weakened by the tensile strain and there will occur an insulator to metal transition at strain over 0.30.
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