电子碰撞诱导原子从低激态向高激态弛豫

本文根据空心阴极放电中电子能量分布的物理图象,分析了原子从低激态向高激态弛豫的可能途径。建立高低激态集居数密度增量的关系。讨论高激态集居数密度增量获得可观量的条件。根据此条件分别选取钠原子的基态3s^2S_(1/2)和铜原子的亚稳态4s^2D_(3/2)为与激光共振的下能级,并激发具有较大自发发射几率的3s^2S_(1/2)→3p^2P°_(1/2)(和3p^2P°_(3/2))和4s^2D_(3/2)→4p^2P°_(1/2)跃迁,在远离上能级的高激态上观测到敏化荧光,并精确测得这些态的自发发射系数比值,而在更高激态上没有观测到敏化荧光,表明讨论中提出的条件是合理的。

_Λ~9Be低激态的单体密度和振动模式

本文通过计算L~π=0^+,2^+,1_1^-三个低激态的单体密度和形状密度取条件极值下的r(R)函数曲线,确定了_A^9Be处于上述三态时的单体结构和内部振动模式。

Energies and Transition Rates of Low-Lying Excited States for Beryllium

Low lying excited states of beryllium are calculated with multiconfiguration interaction method. The relativisitic corrections and mass polarization are included. The oscillator strength and radiation rates are also calculated. Our results are in good agreement with other theoretical data.

Stark Effect Dependence on Hydrogenic Impurities in GaAs Parabolic Quantum-Well Wires

The ground-state and lowest excited-state binding energies of a hydrogenic impurity in GaAs parabolic quantum-well wires （Q WWs） subjected to external electric and magnetic fields are investigated using the finite-difference method within the quasi-one-dimensional effective potential model. We define an effective radius Pen of a cylindrical QWW, which can describe the strength of the lateral confinement. For the ground state, the position of the largest probability density of electron in x-y plane is located at a point, while for the lowest excited state, is located on a circularity whose radius is Pen. The point and circularity are pushed along the left haft of the center axis of the quantum-well wire by the electric field dire ted along the right half. When an impurity is located at the point or within the circularity, the ground-state or lowest excited-state binding energies are the largest; when the impurity is apart from the point or circularity, the ground-state or lowest excited-state binding energies start to decrease.

Binding Energy of D^- and D^0 Centers Confined by Spherical Quantum Dots

We study a negative donor center, a neutral donor in a spherical Gaussian potential quantum dot by using the matrix diagonalization of Hamiltonian within the effective-mass approximation. We calculate the energy E（ D^-） as functions of Gaussian potential size and depth, the same calculations as performed with the parabolic approximation. The dependence of the ground state of the neutral shallow donor and the negatively charged donor on the dot size and the potential depth is investigated.

Solvent Effects on Spectral Property and Dipole Moment of the Lowest Excited State of Coumarin 343 Dye

Steady-state absorption and fluorescence spectra, and time-resolved fluorescence spectra of coumarin 343 （C343） were measured in different solvents. The effect of the solvent on the spectral properties and dipole moment of the lowest excited state of C343 were investigated. It was found that the absorption and fluorescence spectra red-shifted slightly and strongly with increasing solvent polarity, respectively, because the charge distribution of the excited state leaded to the increasing difference between the absorption and fluorescence spectra with increasing solvent polarity. The dipole moment of the lowest excited state of C343 was determined from solvatochromic measurements and the quantum chemical calculation, and the results obtained from these two methods were fully consistent. Investigations of the time-resolved fluorescence of C343 in different solvents indicated that the fluorescence lifetimes increased nearly linearly with 4.45 ns in water. This can be ascribed between C343 and hydrogen donating increasing solvent polarity from 3.09 ns in toluene to to the intermolecular hydrogen bonding interactions solvents

SO(3,2) Structure and Distributions of Two-Component Bose-Einstein Condensates with Lower Excitations

The eigenstates describing two-component Bose–Einstein condensates (BEC) with weakly excitations have been found, by using the SO(3,2) algebraic mean-field approximation. We show that the two-component modified BEC (see Eq.(26)) possesses uniquely super-Poissonian distribution in a fixed magnetic field along direction. The distribution will be uncertain, if B = 0.

Progress in Fusion Technologies and Materials Researches

Fusion technologies and materials researches made progress in the major three aspects in 2006, specially implemented the ITER agreement tasks of first wall （FW） plate fabrication qualification and shield bulk thermal-hydraulic analysis and design, studied on low activation fusion structure materials and High Z plasma facing materials, experimentally investigated on liquid metal blanket magneto-hydrodynamics effects and so on.

g factors of nuclear low-lying states:A covariant description

The g factors and spectroscopic quadrupole moments of low-lying excited states 2+1,…,81+ in 24Mg are studied in a covariant density functional theory.The wave functions are constructed by configuration mixing of axially deformed mean-field states projected on good angular momentum.The mean-field states are obtained from the constraint relativistic point-coupling model plus BCS calculations using the PC-F1 parametrization for the particle-hole channel and a density-independent delta-force for the particle-particle channel.The available experimental g factor and spectroscopic quadrupole moment of 21+ state are reproduced quite well.The angular momentum dependence of g factors and spectroscopic quadrupole moments,as well as the effects of pairing correlations are investigated.

Theoretical study of low-lying excited states of molecular aggregates. I. Development of linear-scaling TD-DFT

The project aims to develop an integrated linear-scaling time-dependent density functional theory (TD-DFT) for studying low-lying excited states of luminescent molecular materials, especially those fluorescence and phosphorescence co-emitting systems. The central idea will be "from fragments to molecule" (FF2M). That is, the fragmental information will be employed to synthesize the molecular wave function, such that the locality (transferability) of the fragments (functional groups) is directly built into the algorithms. Both relativistic and spin-adapted open-shell TD-DFT will be considered. Use of the renormalized exciton method will also be made to further enhance the efficiency and accuracy of TD-DFT. Solvent effects are to be targeted with the fragment-based solvent model. It is expected that the integrated TD-DFT and program will be of great value in rational design of luminescent molecular materials.

The nucleon pair approximation(NPA) of the shell model

In this paper we discuss the nucleon pair approximation of the shell model,based on our recent results which include a brief introduction to its framework and validity.We exemplify this model by studies of low-lying states for odd-odd nuclei in the mass number A-210 region.

Low-lying states of Hg isotopes within the nucleon pair approximation

The low-lying states of 200-205Hg nuclei have been studied by using the nucleon pair approximation (NPA) of the shell model. We calculate low-excited energy levels, electric quadrupole moments, and magnetic dipole moments, and investigate dominant configurations of low-lying states in the nucleon pair basis. Our calculations reasonably reproduce the available experimental data. We also tabulate our predicted results of low-lying states, including excitation energies, electric quadrupole moments and magnetic moments.

Theoretical study of the low-lying electronic excited states for molecular aggregates

We present here a brief summary of a National Natural Science Foundation Major Project entitled "Theoretical study of the low-lying electronic excited state for molecular aggregates". The project focuses on theoretical investigation of the electronic structures and dynamic processes upon photo-and electric-excitation for molecules and aggregates. We aim to develop reliable methodology to predict the optoelectronic properties of molecular materials related to the electronic excitations and to apply in the experiments. We identify two essential scientific challenges: (i) nature of intramolecular and intermolecular electronic excited states; (ii) theoretical description of the dynamic processes of the coupled motion of electronic excitations and nucleus. We propose the following four subjects of research: (i) linear scaling time-dependent density-functional theory and its application to open shell system; (ii) computational method development of electronic excited state for molecular aggregates; (iii) theoretical investigation of the time evolution of the excited state dynamics; (iv) methods to predict the optoelectronic properties starting from electronic excited state investigation for organic materials and experimental verifications.