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1.
The paper discusses the applicability of quasi-crystalline approximation to describing the thermal motion of water molecules in their normal and supercooled states. The problem is subjected to the critical analysis of experimental data on incoherent scattering of slow neutrons based on theories developed by Singwi-Sjolander [1] and Oskotsky [2] modified to duly take into account the limited applicability range of diffusion approximation. The applicability conditions of quasi-crystalline approximation are shown to be consistently satisfied only when water is in supercooled state and within a narrow temperature range above the melting temperature. 相似文献
2.
通过重离子核反应与在束γ谱的实验技术, 对A=130缺中子核区的双奇核136La的高自旋态进行了研究, 所用核反应为130Te(11B,5n). 实验结果扩展了136La的能级纲图, 包括3个集体转动带, 最高自旋态达20h. 对于\uppi h_{11/2}\otimes \upnu h_{11/2}$~带, 观测到了旋称反转与集体回弯现象. 通过系统学比较, 对旋称反转特性进行了讨论. 由推转壳模型的计算指出, 此集体回弯是由一对中子的角动量顺排引起的. 另外两个集体带为具有~$\gamma\approx -60^\circ$~的扁椭形变带, 其可能的组态为: $\uppi h_{11/2}\otimes \upnu g_{7/2}h_{11/2}^2$~与~$\uppi g_{7/2}\otimes\upnu g_{7/2}^2 d_{5/2} h_{11/2}^2$. 相似文献
3.
Using the DFT/B3LYP method with a 6-31G(d) basis set, the structure, normal vibration frequencies, and the absolute band intensities in the IR spectra of the chlorin molecule and its four symmetric isotopomers have been calculated. Scaling of the force field by the Pulay method in independent and natural coordinates has been carried out. A method for obtaining effective force fields without using experimental data on the fundamental vibration frequencies is proposed. By comparing the vibration modes and constructing special matrices, complete assignment of the fundamental frequencies of porphin and chlorin has been carried out. It has been shown that the majority of porphin macroring vibrations upon pyrrolenine ring hydrogenation are frequency-characteristic and only 12 vibrations change considerably. A frequency correlation with regard for the mode transition between chlorin and all its isotopomers under consideration has been established. Comparative analysis of the force fields of porphin and chlorin in dependent natural coordinates has revealed the unique nonlocal character of the change in force constants of the macroring upon hydrogenation of one pyrrolenine ring. Modeling of the IR spectra of chlorin and its isotopomers has been performed. Assignment and interpretation of the normal vibrations of the molecules under consideration have been carried out. 相似文献
4.
The authors study the bifurcation problems of rough heteroclinic loop connecting three saddle points for the case β1 > 1, β2 > 1, β3 < 1 and β1β2β3 < 1. The existence, number, coexistence and incoexistence of 2-point-loop, 1-homoclinic orbit and 1-periodic orbit are studied. Meanwhile, the bifurcation surfaces and existence regions are given. 相似文献
5.
The Existence of Solutions to Sturm-Liouville Boundary Value Problems with Laplacian-like Operator 总被引:2,自引:0,他引:2
Wei-ping Sun Wei-gao GeDepartment of Applied Mathematics Beijing Institute of Technology Beijing China 《应用数学学报(英文版)》2002,18(2):341-348
Abstract The existence of infinitely many solutions to Sturm-Liouville boundary value problem with aLaplacian-like operator is studied by applying generalized polar coordinates. 相似文献
6.
Electronic properties of model quantum-dot structures in zero and finite magnetic fields 总被引:1,自引:0,他引:1
H. Saarikoski E. Räsänen S. Siljamäki A. Harju M.J. Puska R.M. Nieminen 《The European Physical Journal B - Condensed Matter and Complex Systems》2002,26(2):241-252
We have computed electronic structures and total energies of circularly confined two-dimensional quantum dots and their lateral
dimers in zero and finite uniform external magnetic fields using different theoretical schemes: the spin-density-functional
theory (SDFT), the current-and-spin-density-functional theory (CSDFT), and the variational quantum Monte Carlo (VMC) method.
The SDFT and CSDFT calculations employ a recently-developed, symmetry-unrestricted real-space algorithm allowing solutions
which break the spin symmetry. Results obtained for a six-electron dot in the weak confinement limit and in zero magnetic
field as well as in a moderate confinement and in finite magnetic fields enable us to draw conclusions about the reliability
of the more approximative SDFT and CSDFT schemes in comparison with the VMC method. The same is true for results obtained
for the two-electron quantum dot dimer as a function of inter-dot distance. The structure and role of the symmetry-breaking
solutions appearing in the SDFT and CSDFT calculations for the above systems are discussed.
Received 16 October 2001 and Received in final form 17 January 2002 相似文献
7.
Joe Warren Scott Schaefer Anil N. Hirani Mathieu Desbrun 《Advances in Computational Mathematics》2007,27(3):319-338
In this paper we provide an extension of barycentric coordinates from simplices to arbitrary convex sets. Barycentric coordinates
over convex 2D polygons have found numerous applications in various fields as they allow smooth interpolation of data located
on vertices. However, no explicit formulation valid for arbitrary convex polytopes has been proposed to extend this interpolation
in higher dimensions. Moreover, there has been no attempt to extend these functions into the continuous domain, where barycentric
coordinates are related to Green’s functions and construct functions that satisfy a boundary value problem. First, we review
the properties and construction of barycentric coordinates in the discrete domain for convex polytopes. Next, we show how
these concepts extend into the continuous domain to yield barycentric coordinates for continuous functions. We then provide
a proof that our functions satisfy all the desirable properties of barycentric coordinates in arbitrary dimensions. Finally,
we provide an example of constructing such barycentric functions over regions bounded by parametric curves and show how they
can be used to perform freeform deformations.
相似文献
8.
9.
The role of filamentation instability of quark-gluon plasma, in explaining collective phenomena in relativistic heavy-ion
collisions, has been analyzed. Using equations of SU(2) two fluid color hydrodynamics it is shown that this instability can
significantly enhance nuclear stopping and might contribute to collective sideward flows. 相似文献
10.
F. Despa R. S. Berry 《The European Physical Journal D - Atomic, Molecular, Optical and Plasma Physics》2003,24(1-3):37-40
Interpretive theoretical tools prove valuable in guiding
the analysis of experiments in the realm of atomic clusters.
Here, we review basic elements of an analytic approach that
makes it possible to find and visualize the effective
electrostatic potential and Coulomb correlations in multicenter
problems. To illustrate the utility of these concepts we apply
them to exploring molecular-doped metallic clusters. This study
is aiming at a systematic, visual assessment of changes induced
in screening, Coulomb correlation and effective potential by
varying the charge of the electronegative impurity and its
position in the cluster cage. 相似文献