Bifurcation phenomena of photodetached electron flux in parallel external fields

A semiclassical method based on the closed-orbit theory is applied to analysing the dynamics of photodetached electron of H$^- $ in the parallel electric and magnetic fields. By simply varying the magnetic field we reveal spatial bifurcations of electron orbits at a fixed emission energy, which is referred to as the fold caustic in classical motion. The quantum manifestations of these singularities display a series of intermittent divergences in electronic flux distributions. We introduce semiclassical uniform approximation to repair the electron wavefunctions locally in a mixed phase space and obtain reasonable results. The approximation provides a better treatment of the problem.     

Comparative characterization of two-electron wavefunctions using information-theory measures

Information-theory measures, in particular the Shannon entropy, Fisher information and statistical complexity, are used to discuss the variations among several commonly encountered model two-electron correlated wavefunctions. The Hookean, Moshinsky, and three-parameter Chandrasekhar wavefunctions are considered in real and momentum space, with further comparisons to the Hookean-Hartree-Fock (HF) wavefunction of Ragot, the numerical HF limit, and the hydrogenic (pure Coulomb) limit. The purpose of the study is to quantitatively analyze the effect of different models for inclusion of electron-electron correlation on information-theoretical measures, including statistical complexity, which characterize the electron distribution in position and momentum space.     

Motion of an electron from a point source in parallel electric and magnetic fields

Negative ions undergoing near-threshold photodetachment in a weak laser field provide an almost pointlike, isotropic source of low-energy electrons. External fields exert forces on the emitted coherent electron wave and direct its motion. Here, we examine the spatial distribution of photodetached electrons in uniform, parallel electric and magnetic fields. The interplay of the electric and magnetic forces leads to a surprising intricate shape of the refracted electron wave, and multiple interfering trajectories generate complex fringe patterns in the matter wave. The exact quantum solution is best understood in terms of the classical electron motion.     

基于碳纳米管分子封装的一维电子波函数扫描

利用第一性原理,设计并研究了一类基于单臂碳纳米管的分子封装的分子体系．计算表明,半环葫芦脲类化合物可有效封装碳纳米管,引入微弱的分子间相互作用,对碳纳米管的电子态能级结构分布 仅带来微弱影响．半环葫芦脲分子与碳纳米管在管径方向的一维电子态波函数充分耦合,进而有效改变了一些前沿分子轨道的波函数在管径两头的分布以及相应的电子布居浓度．基于电子输运的模拟,发现半环葫芦脲分子在碳纳米管一维方向滑动时的某个电压下的电导变化可准确反映电子态波函数在相应分子导电通道上的一维分布信息．     

均匀磁场中带电粒子的非定态波函数

取圆心坐标算符和初始机械动量算符为力学量完全集，给出均匀磁场中带电粒子的非定态波函数．     

Quantum Mechanical Fourier-Hankel Representation Transform for an Electron Moving in a Uniform Magnetic Field

We find quantum mechanical Fourier-Hankel representation transform for an electron moving in a uniform magnetic field. The physical meaning of Fourier decomposition states of electron's coordinate eigenstate and the momentum eigenstate are revealed.     

氢负离子在磁场和金属面附近电子通量分布的研究

利用半经典开轨道理论, 研究了磁场和金属面附近氢负离子的剥离电子通量分布, 并揭示了电子通量分布中的振荡结构与经典轨道之间的关系.固定离子到金属面的距离, 研究了不同的磁场强度对电子通量分布的影响. 结果表明, 由于与电子通量分布相联系的剥离电子的经典轨迹增加, 随着磁场强度的增加, 通量分布变得复杂. 此外发现剥离电子的能量变化也会影响电子通量分布. 因此可以通过改变磁场强度大小和剥离电子的能量来调控剥离电子通量分布和干涉图样. 研究结果对于理解负离子在外场、表面附近的电子流通量和剥离电子干涉图样问题以及将来实验研究负离子的光剥离显微问题都可以提供一定的参考. 关键词： 开轨道理论 电子通量 金属面 磁场     

平行电磁场中H-光剥离电子轨道分岔现象的研究

当改变能量、位置或场强等参数时,电磁场中里德堡态的原子、分子和离子等体系将出现分岔现象,从而导致波函数在分岔点附近发散,半经典闭合轨道理论不再适用.本文分析并计算了平行电磁场中H-光剥离电子轨道的分岔现象,并采用统一近似的方法进行定域修正,从而消除了分岔点的奇异性,得到了合理的光剥离电子流的分布.     

Spin polarization in photodetachment — a simple example

Simple considerations of angular momentum conservation are sufficient to argue for complete spin polarization of electrons that are photodetached from the negative ions of halogens by circularly polarized light.     

Divergence-free WKB theory

We present a divergence-free WKB theory, which is a new semiclassical theory modified by nonperturbative quantum corrections. Conventionally, the WKB theory is constructed upon a trajectory that obeys the bare classical dynamics expressed by a quadratic equation in momentum space. Contrary to this, the divergence-free WKB theory is based on a higher-order algebraic equation in momentum space, which represents a dressed classical dynamics. More precisely, this higher-order algebraic equation is obtained by including quantum corrections to the quadratic equation, which is the bare classical limit. An additional solution of the higher-order algebraic equation enables us to construct a uniformly converging perturbative expansion of the wavefunction. Namely, our theory removes the notorious divergence of wavefunction at a turning point from the WKB theory. Moreover, our theory is able to produce wavefunctions and eigenenergies more accurate than those given by the traditional WKB method. In addition, the divergence-free WKB theory that is based on the cubic equation allows us to construct a uniformly valid wavefunction for the nonlinear Schrödinger equation (NLSE). A recent short letter [T. Hyouguchi, S. Adachi, M. Ueda, Phys. Rev. Lett. 88 (2002) 170404] is the opening of the divergence-free WKB theory. This paper presents full formalism of this theory and its several applications concerning wavefunction and eigenenergy to show that our theory is a natural extension of the traditional WKB theory that incorporates nonperturbative quantum corrections.     

Selection rules in DWBA theory of (p,t) reactions

Angular momentum selection rules for (p, t) reactions within the framework of DWBA formalism are given for the particular case where the triton wavefunction is classified according to its orbital permutation symmetry. The selection rules demonstrate that certain previous calculations of unnatural parity transitions should exactly vanish, and suggest the important result that “weak” unnatural parity transitions can occur as direct one step reactions via the mixed symmetry S and D state components of the triton wavefunction.     

Scaling property in one-nucleon removal reactions induced by exotic nuclei

Assuming a core plus valence nucleon structure, one-nucleon removal reaction is investigated within the framework of few-body Glauber theory. Fermi-type distribution is used for the core density, while the wavefunction of the valence nucleon is calculated by solving the single particle eigeuvalue problem of the SchrSdinger equation with the Woods-Saxon potential. The parallel momentum distribution (P//) of the fragments is calculated for isotopes with 3 < Z < 18. A remarkable scaling property is observed from the dependence of the dimensionless quantity R2v/R2c on the full width at half maximum of the parallel momentum distribution (FWHMp//). R2v/R2c is a measure of the exotic extent of the nuclear halo. Based on the obtained scaling law, FWHMp// can be used as an experimental observable to extract R2v/R2c and measure the exoticextent for the nuclear halo.     

On solutions of Coulomb system and its generalization to the Aharonov-Bohm effect

The paper numerically analyzes the Aharonov-Bohm effect of an infinitely thin magnetic flux for its influence on a two- or three-dimensional (3d) solutions of Coulomb system in momentum and coordinate spaces. For any definitive eigenstate, it is shown that the flux shifts the position of the most probable radius (MPR) of a probability distribution inward or outward in momentum or coordinate spaces, respectively. Moreover, the probability density of the shifted MPR is amplified in the momentum space, while reduced in the coordinate space. Since the Coulomb force among charged particles dominate the structure of matter, shifting of the MPR controlling by the flux effect may be beneficial to the construction of nanostructure by manipulating the atomic and molecular bonds.     

Perturbation of the excited states of the hydrogen atom and hydrogen-like ions by a neutral atom

Owing to the degeneracy of the energy levels, the wavefunction of the electron in the excited states of the hydrogen atom and hydrogen-like ions perturbed by a neutral atom B is significantly different from the wavefunction of the unperturbed state. The perturbed function has a wide high maximum in the region of atom B, which is explained by multiple collisions of the electron with atom B, because the classical trajectories in the Coulomb field are closed and the size of atom B is much smaller than the size of the excited-state orbit. The radiative lifetimes of the excited states are much larger than those of unperturbed states. The orbital angular momentum L of the excited electron is strongly changed in collisions with atom B owing to the quantum interference or mixing of the temporal phases of adiabatic wavefunctions. The cross sections for such a change in the orbital angular momentum are several orders of magnitude larger than the cross sections found in early investigations in the approximation of the single collision of the electron with atom B.     

Nuclear spin selection rules in chemical reactions by angular momentum algebra

The detailed selection rules for reactive collisions reported by Quack using molecular symmetry group are derived by using angular momentum algebra. Instead of the representations of the permutation-inversion group for both nuclear spin and rovibronic coordinate wavefunctions, those of the rotation group for nuclear spin wavefunction only are used. The method allows more straightforward derivation of Quack’s results and further extension of the calculation for separating elementary reactions and application to higher proton systems.     

Investigation of outer valence orbital of CF2Cl2 by a new type of electron momentum spectrometer

Electronic states of CF2Cl2 （dichlorodifluoromethane, Freon 12） have been studied using a new type of electron momentum spectrometer with a very high efficiency at an impact energy of 1200 eV plus binding energy. The experimental electron momentum profiles are compared with the density functional theory （DFT） and Hartree-Fock （HF） calculations. The relationship between orbital assignments in different coordinate systems is discussed. A new method of difference analysis based on the new type of electron momentum spectrometer is used to clarify the ambiguities regarding the orbital ordering.     

Phase Operator Theory for an Electron Moving in a Uniform Magnetic Field

We show that the newly found complete and orthonormal representation <λ|, which is constructed in terms of guiding centers and canonical momenta of an electron moving in a uniform magnetic field, also helps us to establish a systematic phase operator theory. The unitary phase operator, interpreted as a quantity canonically conjugated to the electron angular momentum, manifestly exhibits in the <λ| representation its phase behavior. As a byproduct, the phase distribution function, in the correct sense of probability in quantum mechanics, can also be defined by the <λ| representation.     

量子数n和l对束缚电子径向波函数的影响

利用Hartree-Fork平均自洽场理论,研究了主量子数n和角量子数l对束缚电子波函数影响的主要特征.原子实通常是致密、紧凑的,当n和l较大时价电子的行为将与相应的氢原子电子相似;在靠近核的原子实区域,原子实的影响使价电子径向波函数节点的位置几乎重合.在近核区域离心势可对电子产生很大影响:小l电子只能轻微地贯穿到原子实的较深区域,对大l电子离心势将阻止其深入到离核很近的原子实内;离化度较高时离心势的作用相对减弱,电子深入到原子实内的可能性较大.