Electronic structure of linear polyacenes in alternant molecular orbital theory

The ratio of the chemical potential to the mean energy per π-electron is calculated in alternant molecular orbital theory for the linear polyacenes with n rings. Dimensionality appears to dominate as n→∞. Ionization potentials are also discussed for 1 ? n ? 6.     

完全稳定化MRT的可能性及应用于聚变的潜力

提出采用方向时变(旋转)的驱动磁场(交替Θ-Z箍缩构型)或者多级嵌套Θ-Z箍缩构型来抑制动态Z箍缩的MRT不稳定性的概念,介绍了对交替/嵌套Θ-Z箍缩MRT不稳定性的最新研究进展,结果表明适当优化的交替/嵌套Θ-Z箍缩的MRT不稳定性明显远低于标准Θ箍缩或者Z箍缩的,一定厚度时甚至被完全致稳,这表明交替/嵌套Θ-Z箍缩构型具有潜力应用于Θ-Z箍缩套筒惯性聚变。     

Correlations between the electronic spectra of alternant hydrocarbon molecules and their mono- and di-valent ions

On the basis of a qualitative quantum mechanical theory of the energies and dipole strengths of the lower π-electronic transitions in alternant hydrocarbon molecules and their mono- and di-valent ions a comparison is made between the spectra in the 5–45 kK region of the molecules and ions of naphthalene, anthracene, tetracene, pyrene and perylene.     

Biography

The mononegative, dinegative and monopositive ions of biphenylene have been formed in solution. The electronic spectra of the negative ions (in tetrahydrofurane and dimethoxyethane solution) have been measured in the range 10 000–44 000 cm^-1, and that of the positive ion (in H₂SO₄ solution) in the range 10 000–35 000 cm^-1. The presence of paramagnetic ions in the solutions of the singly-charged species has been confirmed by measurement of electron spin resonance absorption. The long wavelength electronic spectra of the monopositive and mononegative ions are closely similar, which confirms the essentially ‘aromatic’ character of the biphenylene structure. Assignments are proposed for the principal bands in the spectra of the ions and the neutral molecule. Explicit calculation of the energies of the excited states by an approximate self-consistent field molecular orbital method yields results in reasonably good overall agreement with the experimental energy spectra. There is evidence from relative intensities of some of the bands that the ‘pairing’ of bonding and antibonding sets of molecular orbitals which is characteristic of benzenoid alternant hydrocarbons is partially removed in biphenylene. This may result from a difference of electronegativity of the carbon atoms in the 4-membered ring from that of the remaining carbon atoms.     

Spin densities in some odd alternant radicals including linear polyene radicals

An approximate unrestricted Hartree-Fock method is used to calculate spin densities in the odd alternant radicals cyclohexadienyl, benzyl, perinaphthenyl and triphenylmethyl and the linear polyene radicals from allyl to C₁₉H₂₁. The results agree quite well with the exact calculations and with empirical estimates as well as with experimental data on hyperfine splitting constants and E.S.R. second moments.     

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在一种自动补偿零漂积分器的基础上,设计了一种交替式积分器。该积分器把积分时间分割为短时间段,用两个自动补偿零漂积分器交替进行积分,通过累加电路将每段积分信号累加起来得到完整的积分信号。积分器采用CPLD控制时序,在400s内的漂移在10mV左右,能够满足EAST装置实验的需要。     

Diffusion transport of negative ions through the interface between cryogenic liquids

A theory of electron bubble transport through the interface between cryogenic liquids is developed based on a new approach to calculating the potential of interaction of a bubble with the interface. The theory is in good agreement with experiments on the electric-field dependence of the potential barrier near the interface between liquid ⁴He, ³He, and vacuum, as well as at the interface between ³He and ⁴He saturated solutions. It is found that the interaction potential dependence on the distance between the electron bubble and the interface is isotopically invariant to three versions of such an interface. The dependence of the lifetime of negative ions in ⁴He and ³He on the temperature and electric field has been determined using the Kramers theory.     

On the magnetic properties of TCNQ anion radical salts (2)

By introducing the alternant site energy ε₀, a Schottky type behavior of the magnetic susceptibility is also obtained in the case of a 4-site 2-electron ring Hubbard model which is the model for TCNQ complex salts.     

Relativistic Hartree-Bogoliubov description of the lithium isotopes

Here we report the development of the relativistic Hartree-Bogoliubov theory in coordinate space. Pairing correlations are taken into account by both density dependent force of zero range and finite range Gogny force. As a primary application the relativistic HB theory is used to describe the chain of Lithium isotopes reaching from ⁶Li to ¹¹Li. In contrast to earlier investigations within a relativistic mean field theory and a density dependent Hartree Fock theory, where the halo in ¹¹Li could only be reproduced by an artificial shift of the 1p _1/2 level close to the continuum limit, the halo is now reproduced in a self-consistent way without further modifications using the scattering of Cooper pairs to the 2s _1/2 level in the continuum. Excellent agreement with recent experimental data is observed.     

Eigenstates of the time-dependent density-matrix theory

An extended time-dependent Hartree-Fock theory, known as the time-dependent density-matrix theory (TDDM), is solved as a time-independent eigenvalue problem for low-lying 2 ⁺ states in ²⁴O to understand the foundation of the rather successful time-dependent approach. It is found that the calculated strength distribution of the 2 ⁺ states has physically reasonable behavior and that the strength function is practically positive definite though the non-Hermitian Hamiltonian matrix obtained from TDDM does not guarantee it. A relation to an Extended RPA theory with hermiticity is also investigated. It is found that the density-matrix formalism is a good approximation to the Hermitian Extended RPA theory.Received: 26 May 2003, Revised: 30 October 2003, Published online: 26 January 2004PACS: 21.60.Jz Hartree-Fock and random-phase approximations - 21.10.Re Collective levels     

Origin of the high-and low-frequency K-satellites of 31Ga, 32Ge and 33As

The origin of the high- and low-frequency K-satellites of ³¹Ga, ³²Ge, ³³ As is explain on the basis of Hayasi's theory of quasi-stationary states. It is shown that the same QSS difference gives rise to a particular satellite of either type in all the elements. The results are compared with those of multiple ionisation theory.     

Charge composition of a cluster plasma upon irradiation of large atomic clusters by the field of a superatomic femtosecond laser pulse

A theory is developed for calculating the charge composition of a cluster plasma produced upon irradiation of large atomic clusters by the field of a superatomic femtosecond laser pulse. The theory is based on the overbarrier process of a successive multiple internal ionization of atomic ions inside a cluster accompanied by the external field ionization. Collision ionization is also taken into account in the calculations. The theory is illustrated by the example of a cluster consisting of 10⁶ xenon atoms irradiated by a 50-fs laser pulse with a peak intensity of 2×10¹⁸ W/cm². In this case, the Xe²⁶⁺ ions dominate. The amounts of atomic xenon ions with multiplicity up to 31 are calculated.     

Dissociation of molecules in intense laser beam

Dissociation of molecules in the strong laser beam at the intensity of 10¹³–10¹⁴ W/cm² is investigated. Experimentally, the fragmentation of neutral molecules, CH₄, C₂H₄, C₄H₈; and the disintegration of molecular ions, CH ₄ ⁺ are studied by fluorescence spectroscopy and mass spectroscopy respectively. Some new phenomena, the strong dependence on the laser intensity, the universal dissociation, and the thorough fragmentation, are found in the fragmentation, and cannot be explained by the existing theories, as Coulomb Explosion theory or Re-scattering theory. We have suggested two new theories. The Super-excited State (SES) theory interprets the neutral fragmentation of molecules, which is stimulated to the SES by intense laser pulse. The Morse potential energy surface of the SES shows that either direct dissociation or pre-dissociation can take place in the SESs. Another theory, the theory of Field-assisted Dissociation (FAD) interprets the fragmentation of ionic molecules. According to this theory, the electric field of the laser pulse is involved directly to the dissociation process. QCT calculations for the trajectories moving on the dressed PES are performed. The result shows that the chemical bond which is parallel to the laser field vector undergo dissociation spontaneously. The dissociation takes place around 100 fs, which is in agreement with the ultrafast measurement in the pump-probe experiment.     

R×S 3 special theory of relativity

A theory of relativity, along with its appropriate group of Lorentz-type transformations, is presented. The theory is developed on a metric withR×S ³ topology as compared to ordinary relativity defined on the familiar Minkowskian metric. The proposed theory is neither the ordinary special theory of relativity (since it deals with noninertial coordinate systems) nor the general theory of relativity (since it is not a dynamical theory of gravitation). The theory predicts, among other things, that finite-mass particles in nature have maximum rotational velocities, a prediction highly supported by recent experiments on 14 nuclei, such as ¹⁵⁹ Yb that survives fission with angular velocities of up to 0.9 of the predicted value but does not reach it.Address during academic year 1985/1986: Department of Physics and Astronomy, University of Maryland, College Park, Maryland 20742.     

Analytical eigenspectra of alternant edge-weighted graphs of linear chains and cycles: some applications

Analytical eigenspectra for the graphs of linear chains and cycles with alternant edge weights has been derived with the use of two independent methods, namely, the characteristic polynomial and the graph squaring. In the former method the rotational symmetry and the trigonometric identity have been exploited. These methods along with the expressions of eigenspectra so obtained have been found to be very useful in expressing analytical eigensolutions of some important as well as novel benzenoids, for example, linear p-methylene poly(p-phenylene), cylindrical poly(p-phenylene), zigzag edge graphene, carbon nanotube and carbon nanotori. Some of these eigensolutions have been analysed in exploring some consequences thereof.     

抗干涉齿轮集机构最优归一化编码的理论与方法

抗干涉齿轮集(CMG,Counter-Meshing Gears)机构是一种可用于确保要害系统安全性的机械组合锁的密码鉴别机构。对于N个"A"和N个"B"任意组合的二元解锁符号序列,如何用最小、固定的齿轮层数C和齿轮分度数D实现相应CMG机构密码鉴别齿牙的二元装定编码,是具有重要实用背景的CMG机构最优归一化编码问题。借助此前报道的CMG机构分类方法、二维迷宫映射图、关键陷阱格点(CTG,Critical Route Grid)的三色循环着色编码方法等工具,系统论述了CMG机构最优归一化编码的理论与方法。给出了两种可选的编码方法,及每种方法最小编码空间需求(用C×D表征)和编码算法。根据编码空间和解锁符号序列的字长,定义了表征CMG机构编码效率的优值。利用这个物理概念清晰的优值比较两种可选的最优归一化编码方法,得到编码空间为C=3,D=N+2的第一类CMG机构是首选方法的结论。对于第一类CMG机构,最优归一化编码与先前报道的最少齿轮层数的优化编码并无不同,两者都需要最小C=3,D=N+2的编码空间,且CTG三色循环着色编码方法同样适用。应用CTG三色循环着色编码方法会在校验二维迷宫映射图中留下一个显著的指纹特征,全部CTG会被循环有规律地分配到仅三个颜色集上,也即设定的用于误码锁定的A-B复合齿轮之间的干涉将交替发生在仅三层密码齿轮上。     

抗干涉齿轮集机构最优归一化编码的理论与方法

抗干涉齿轮集(CMG, Counter-Meshing Gears)机构是一种可用于确保要害系统安全性的机械组合锁的密码鉴别机构。对于N个A和N个B任意组合的二元解锁符号序列,如何用最小、固定的齿轮层数C和齿轮分度数D实现相应CMG机构密码鉴别齿牙的二元装定编码,是具有重要实用背景的CMG机构最优归一化编码问题。借助此前报道的CMG机构分类方法、二维迷宫映射图、关键陷阱格点(CTG, Critical Route Grid)的三色循环着色编码方法等工具,系统论述了CMG机构最优归一化编码的理论与方法。给出了两种可选的编码方法,及每种方法最小编码空间需求(用CD表征)和编码算法。根据编码空间和解锁符号序列的字长,定义了表征CMG机构编码效率的优值。利用这个物理概念清晰的优值比较两种可选的最优归一化编码方法,得到编码空间为C=3,D=N+2的第一类CMG机构是首选方法的结论。对于第一类CMG机构,最优归一化编码与先前报道的最少齿轮层数的优化编码并无不同,两者都需要最小C=3,D=N+2的编码空间,且CTG三色循环着色编码方法同样适用。应用CTG三色循环着色编码方法会在校验二维迷宫映射图中留下一个显著的指纹特征,全部CTG会被循环有规律地分配到仅三个颜色集上,也即设定的用于误码锁定的A-B复合齿轮之间的干涉将交替发生在仅三层密码齿轮上。     

On the instability of the vacuum in multidimensional scalar theories

The one-loop effective potential in a scalar theory with quartic interaction on the spaceM ⁴×T ⁿ forn=2 is calculated and is shown to be unbounded from below. This is an indication of a possible instability of the vacuum of theλψ ⁴ model onM ⁴, when it is regarded as a low-energy sector of the theory obtained by dimensional reduction of the original six-dimensional one. It is argued that, in some range of the values of the parameters of the theory, higher-loop corrections do not change this result qualitatively. The issue of stability for other values of the numbern of extra dimensions is also discussed.     

Influence of high-frequency magnetic fields on Mössbauer resonance

The influence of high-frequency magnetic modulation on Mössbauer resonance is investigated using the⁶⁷Zn resonance. A phase-modulation theory theory explaining the experimental results is presented. Implications to magnetic modulation experiments with the⁵⁷Fe resonance are also discussed.     

Intensity and bandwidth of multiphonon vibronic transitions of rare-earth ions in crystals

The theory of multiphonon vibronic coupling to electronic transitions is applied in analysing fluorescence spectra of Eu²⁺ in BaFCI, which consist of the 4f⁷(⁶P_7/2,) → 4f⁷(⁸S_7/2) and 4f⁶5d → 4f⁷ transitions, and the 4f⁷-4f⁶5d excitation spectrum of Ce³⁺ in YPO⁴. The 4f electrons are weakly coupled to lattice vibration modes so that only weak one- and two-phonon sidebands are observable in the 4f-4f optical transitions, whereas the electron-phonon coupling is significantly stronger for a 5d electron. Accordingly, intensive multiphonon vibronic transitions overwhelmingly dominate the 4f⁶5d → 4f⁷ spectrum. It is shown that the extended Judd-Ofelt theory for weak vibronic coupling in the framework of the M-process is equivalent to the Huang-Rhys theory for the δ-process. In the analysis of experimental data, contributions from local ligand modes and lattice acoustic modes are separated, and the coupling strength is evaluated, in terms of the Huang-Rhys parameter S, for the 4f-4f and 5d-4f vibronic transitions.