The Quantum Group Theoretic Approach to Heavy-Ion Resonances

We suggest the quantum group as dynamical symmetry group of heavy-ion resonance systems. The rotation-vibrational spectra of the systems are given by the quantum groun theoretic approach without going to the detail of the bonding potential of the systems. The corresponding wave functions are obtained. Using the analytic formula of this approach, we fit the experimental data of ¹²C+¹²C and ¹²C+¹⁶O resonance systems in high accuracies. The pseudepotential is found in the quantum group symmetric model and discussed in comparison with the conventional nonlinear potential model.     

强场中NO分子回归谱的长程散射矩阵的理论研究

采用半经典散射矩阵方法研究外磁场中高里德伯态双原子分子在能量范围为77010—77050cm^-1的回归谱.通过引进模型势简化强磁场中NO分子的高里德伯电子的势函数,找出其在核转动量子数分别为N=1,3,5的三个通道中的闭合轨道,重点分析了强磁场中NO分子的长程散射矩阵元实部的傅里叶变换谱与闭合轨道之间的一一对应关系.     

Essential concepts in the optical properties of quantum dot molecules

Here we review the basic optical spectra of quantum dot molecules. We apply a simple and straightforward model to calculate charge stability regions in vertically coupled double dot molecules that are embedded in a Schottky diode. This model allows us to relate features in the optical spectrum to the diode structure. The underlying concepts allow one to design quantum dot molecules functionalized for optical operations.     

A simple and accurate approach for calculating the vibration spectra of molecules on surfaces: Comparisons to high resolution electron energy loss data for ethylene on silicon

Peak assignment is a complex but important task for analyzing the vibration spectra of surface-bound molecules. Here we describe a simple approach for calculating infrared and Raman spectra for surface-bound molecules using a cluster model approach with quantum capping potentials (QCPs). The utility of the approach is demonstrated by comparisons to the measured high resolution electron energy loss spectra for ethylene on clean silicon. By capping the silicon cluster with QCPs we computed spectra that agree very well with the HREEL spectrum, allowing us to easily assign the experimental peaks. QCPs are similar to effective core potentials, can be used with any ab initio technique and most computational chemistry packages, and their use requires no special expertise.     

Electronic structure and spectroscopic properties of anti-HIV active aminophenols

We have measured the absorption and fluorescence spectra and fluorescence quantum yields of sulphone-containing anti-HIV active o-aminophenol molecules in an inert solvent, hexane, and in a polar solvent, acetonitrile. We have studied IR Fourier-transform spectra and examined structural features of o-aminophenols with different substituents in solutions and crystals. Functional groups of molecules that are involved in the formation of hydrogen bonds have been revealed. Proton acceptor properties of o-aminophenol molecules have been theoretically evaluated using the method of molecular electrostatic potential. Using quantum chemistry methods, we have calculated and interpreted absorption and fluorescence spectra of o-aminophenols. Calculation data are compared with experimental results. We have determined the main channels and mechanisms of photophysical relaxation processes in o-aminophenols.     

All-optical measurement of high-harmonic amplitudes and phases in aligned molecules

We report a new all-optical approach to measuring the phase and amplitude of high-harmonic emission from aligned molecules. We combine the transient grating technique with a continuous rotation of the molecular alignment axis and develop an analytical model that enables the simultaneous determination of phases and amplitudes. Measurements in N(2) molecules are shown to be in qualitative agreement with the results of ab initio quantum scattering calculations.     

Quantum phenomena via complex measure: Holomorphic extension

The complex measure theoretic approach proposed earlier is reviewed and a general version of density matrix as well as conditional density matrix is introduced. The holomorphic extension of the complex measure density (CMD) is identified to be the Wigner distribution function of the conventional quantum mechanical theory. A variety of situations in quantum optical phenomena are discussed within such a holomorphic complex measure theoretic framework. A model of a quantum oscillator in interaction with a bath is analyzed and explicit solution for the CMD of the coordinate as well as the Wigner distribution function is obtained. A brief discussion on the assignment of probability to path history of the test oscillator is provided.     

Deriving relativistic Bohmian quantum potential using variational method and conformal transformations

In this paper we shall argue that conformal transformations give some new aspects to a metric and changes the physics that arises from the classical metric. It is equivalent to adding a new potential to relativistic Hamilton–Jacobi equation. We start by using conformal transformations on a metric and obtain modified geodesics. Then, we try to show that extra terms in the modified geodesics are indications of a background force. We obtain this potential by using variational method. Then, we see that this background potential is the same as the Bohmian non-local quantum potential. This approach gives a method stronger than Bohm’s original method in deriving Bohmian quantum potential. We do not use any quantum mechanical postulates in this approach.     

A new effective potential for deuteron

We calculate for the first time the static properties of the deuteron, within the framework of supersymmetric quantum mechanics, analytically. A new effective potential and its partner are derived from a superpotential so that all parameters are fitted by the experimental data. An analytical expression is obtained for the deuteron wave function and contributions of the orthogonal ¹³S₁ and ¹³D₁ states are determined, explicitly. Compared to one pion exchange, the superpotential produces an electrostatic as well as two pion exchange terms for the potential. The saddle point radius of the potential and the maximum of the wave function are linearly proportional. In comparison with other methods, the approach presented in this paper is a new and extensible symmetry-based approach that, despite its straightforward calculations and explicit analytical expressions, provides a good explanation for two-body effective interactions such as two-nucleon systems and diatomic molecules.     

Far infrared absorption by pairs of nonpolar molecules

Recent progress in the field of binary collision induced spectra of nonpolar gases and mixtures in the far infrared (FIR) region of the spectrum includes accurate measurements of a variety of molecular systems and temperatures, and rigorous quantum calculations. The latter are based on the isotropic potential approximation and either on ab initio induced dipole data obtained with highly correlated wavefunctions, or on the classical multipole induction model. The contributions of both free pairs of molecules in collisional interaction, and bound pairs (van der Waals molecules), are accounted for in equilibrium proportions. The effects of the anisotropy of the intermolecular interaction potential on the spectra are also being understood in quantitative terms. On an absolute intensity scale, the agreement of theory with the laboratory measurements is typically well within the uncertainties of the measurements if all theoretical dimer features are flattened by convolution with with an instrumental profile of 10 or 20 cm^–1 width; certain dimer features have been seen in the FIR spectra of the atmospheres of the outer planets and their big moons. For astrophysical and other applications, the results of the quantum computations have been cast into simple analytical expressions which reproduce collision induced spectra accurately as function of frequency and temperature on computers of small capacity in seconds for a selection of molecular systems.     

囚禁单离子的量子阻尼运动

用包含偶极和四极虚势能项的非厄米哈密顿算符来描述Paul阱中囚禁阻尼单离子在静电场下的量子运动.通过导出和分析系统的精确解,得到在PT对称和不对称情形下的不同实能谱与稳定量子态,以及PT不对称情形的虚能谱和衰减量子态,同时给出相应于不同态的参数区域和存活概率.结果发现该非厄米系统外场参数能惟一确定量子稳定态并导致波函数形态变化,据此提出非相干操控相应量子跃迁的方法.让量子态衰减导致的离子位置期待值的衰减与经典阻尼谐振子的衰减一致,得到虚势能参数与经典阻尼参数的对应关系.所得结果将进一步丰富具有广泛应用背景的囚禁离子动力学.     

Lectures on renormalization and asymptotic safety

A short introduction is given on the functional renormalization group method, putting emphasis on its nonperturbative aspects. The method enables to find nontrivial fixed points in quantum field theoretic models which make them free from divergences and leads to the concept of asymptotic safety. It can be considered as a generalization of the asymptotic freedom which plays a key role in the perturbative renormalization. We summarize and give a short discussion of some important models, which are asymptotically safe such as the Gross–Neveu model, the nonlinear σ$\sigma$ model, the sine–Gordon model, and we consider the model of quantum Einstein gravity which seems to show asymptotic safety, too. We also give a detailed analysis of infrared behavior of such scalar models where a spontaneous symmetry breaking takes place. The deep infrared behavior of the broken phase cannot be treated within the framework of perturbative calculations. We demonstrate that there exists an infrared fixed point in the broken phase which creates a new scaling regime there, however its structure is hidden by the singularity of the renormalization group equations. The theory spaces of these models show several similar properties, namely the models have the same phase and fixed point structure. The quantum Einstein gravity also exhibits similarities when considering the global aspects of its theory space since the appearing two phases there show analogies with the symmetric and the broken phases of the scalar models. These results be nicely uncovered by the functional renormalization group method.     

Electronic molecule-like spectrum of quantum wells in crossed fields

We show that an electron confined to a single finite parabolic quantum well in crossed electric and magnetic fields can behave as a double quantum well system. The magnetic field is parallel to the heterostructure layers and the electric field is perpendicular to those. For a suitable choice of both fields and quantum well width, the electron can be confined to a double quantum well effective potential that is very similar to the electronic potential model for diatomic molecules. The double quantum well spectrum is calculated using a numerical algorithm based on semiclassical methods. A physical interpretation of this quantum system is given based on the analogy to the electrons bound to diatomic molecules.     

Boundary conditions and amplitude ratios for finite-size corrections of a one-dimensional quantum spin model

We study the influence of boundary conditions on the finite-size corrections of a one-dimensional (1D) quantum spin model by exact and perturbative theoretic calculations. We obtain two new infinite sets of universal amplitude ratios for the finite-size correction terms of the 1D quantum spin model of N sites with free and antiperiodic boundary conditions. The results for the lowest two orders are in perfect agreement with a perturbative conformal field theory scenario proposed by Cardy [J. Cardy, Nucl. Phys. B 270 (1986) 186].     

Information-theoretic differential geometry of quantum phase transitions

The manifold of coupling constants parametrizing a quantum Hamiltonian is equipped with a natural Riemannian metric with an operational distinguishability content. We argue that the singularities of this metric are in correspondence with the quantum phase transitions featured by the corresponding system. This approach provides a universal conceptual framework to study quantum critical phenomena which is differential geometric and information theoretic at the same time.     

Formation of cold bialkali dimers on helium nanodroplets

Cold alkali diatomic molecules (LiCs, NaCs) in the lowest vibrational state of the electronic triplet ground state are formed on superfluid helium nanodroplets. Using photoionization detection the excitation spectra of the transitions are recorded. The splitting of the vibrational structure in the LiCs spectrum, not observed in the NaCs spectrum, is interpreted in terms of molecular fine structure. The spectra are well reproduced by a model based on quantum chemistry potential curves including spin-orbit coupling, in combination with an asymmetric line shape function to account for cluster-induced broadening. Our refined potential curves provide important input data for the photoassociation of ultracold dipolar alkali molecules from atomic quantum gases.Received: 1 July 2004, Published online: 26 October 2004PACS: 36.40.Mr Spectroscopy and geometrical structure of clusters - 34.50.Gb Electronic excitation and ionization of molecules; intermediate molecular states (including lifetimes, state mixing, etc.) - 33.20.-t Molecular spectra     

Quantum effect induced reverse kinetic molecular sieving in microporous materials

We report kinetic molecular sieving of hydrogen and deuterium in zeolite rho at low temperatures, using atomistic molecular dynamics simulations incorporating quantum effects via the Feynman-Hibbs approach. We find that diffusivities of confined molecules decrease when quantum effects are considered, in contrast with bulk fluids which show an increase. Indeed, at low temperatures, a reverse kinetic sieving effect is demonstrated in which the heavier isotope, deuterium, diffuses faster than hydrogen. At 65 K, the flux selectivity is as high as 46, indicating a good potential for isotope separation.     

Coulomb effects in artificial molecules

We study the capacitance spectra of artificial molecules consisting of two and three coupled quantum dots from an extended Hubbard Hamiltonian model that takes into account quantum confinement, intra- and inter-dot Coulomb interaction and tunneling coupling between all single particle states in nearest neighbor dots. We find that, for weak coupling, the interdot Coulomb interaction dominates the formation of a collective molecular state. We also calculate the effects of correlations on the tunneling probability through the evaluation of the spectral weights, and corroborate the importance of selection rules for understanding experimental conductance spectra.