Essay: Supersymmetry, the Cosmological Constant, and a Theory of Quantum Gravity in Our Universe

There are many theories of quantum gravity, depending on asymptotic boundary conditions, and the amount of supersymmetry. The cosmological constant is one of the fundamental parameters that characterizes different theories. If it is positive, supersymmetry must be broken. A heuristic calculation shows that a cosmological constant of the observed size predicts superpartners in the TeV range. This mechanism for SUSY breaking also puts important constraints on low energy particle physics models.     

A quantum chemical study on structure of 1,2-bis(diphenylphosphinoyl)ethane and phenol cocrystal

The cocrystal of 1,2-bis(diphenylphosphinoyl)ethane (DPPEO) with phenol (1:1) were studied theoretically with AM1, PM3, MNDO and MINDO/3 semi-empirical methods to elucidate its structure. The bond lengths and angles from theoretical studies of molecule DPPEO/phenol (1:1) were found to be as expected. Theoretical results, concerning with intermolecular van der Waals forces in cocrystal, were compared with the previously obtained experimental data and AM1 results were found to be the best fit for bond lengths and angles of DPPEO/phenol.     

用PM3量化参数预测多氯代二苯并呋喃的logKow

从现有的PCDFs分子的正辛醇 /水分配系数 (logKow)实验数据出发 ,建立定量结构 性质关系方程(QSPR) .采用G98W程序包中的PM3方法对 13 5个多氯代二苯并呋喃 (PCDFs)分子和二苯并呋喃进行了优化计算 ,作业命令为 #pPM3optfreqscf(conver =9) ,以计算所得的分子轨道能量、碳原子电荷作为PCDFs分子结构描述符 ,运用多元线性回归技术建立了PCDFs的logKow与分子结构描述符的四元方程 ,最优相关系数为 0 .95 0 7,标准偏差为 0 .173 7,经检验该模型的稳健性好 ,并对未有实验数据的 85个PCDFs的logKow进行预测     

Comment on: “Confined states in two-dimensional flat elliptic quantum dots and elliptic quantum wires” [Physica E 11 (2001) 345]

We argue that the two-dimensional elliptic quantum dot problem with finite barrier cannot be exactly solved, contrary to a recent assertion (van den Broek and Peeters, Physica E 11 (2001) 345. We also prove it explicitly by numerically calculating the correct energy spectrum.     

Highly strained InxGa(1−x)As−InyAl(1−y)As (x>0.8,y<0.3) layers for short wavelength QWIP and QCL structures grown by MBE

Highly strained quantum cascade laser (QCL) and quantum well infrared photodetector (QWIPs) structures based on In_xGa_(1−x)As−In_yAl_(1−y)As (x>0.8,y<0.3) layers have been grown by molecular beam epitaxy. Conditions of exact stoichiometric growth were used at a temperature of 420°C to produce structures that are suitable for both emission and detection in the 2–5 μm mid-infrared regime. High structural integrity, as assessed by double crystal X-ray diffraction, room temperature photoluminescence and electrical characteristics were observed. Strong room temperature intersubband absorption in highly tensile strained and strain-compensated In_0.84Ga_0.16As/AlAs/In_0.52Al_0.48As double barrier quantum wells grown on InP substrates is demonstrated. Γ–Γ intersubband transitions have been observed across a wide range of the mid-infrared spectrum (2–7 μm) in three structures of differing In_0.84Ga_0.16As well width (30, 45, and 80 Å). We demonstrate short-wavelength IR, intersubband operation in both detection and emission for application in QC and QWIP structures. By pushing the InGaAs–InAlAs system to its ultimate limit, we have obtained the highest band offsets that are theoretically possible in this system both for the Γ–Γ bands and the Γ–X bands, thereby opening up the way for both high power and high efficiency coupled with short-wavelength operation at room temperature. The versatility of this material system and technique in covering a wide range of the infrared spectrum is thus demonstrated.     

Some Aspects of the Implementation of Scaling Quantum Mechanical Molecular Force Fields

Some features of software implementation of the Pulay scaling procedure are considered. The advantages of the single value decomposition method for maintaining well-conditionality of the scale factor determination problem are demonstrated. The necessity of using a rational number of scale factors is shown. The possibility of obtaining transferable scale factors with the Pulay method and thus predict the vibrational spectra of related compounds is emphasized.     

Single-electron charging spectra: from natural to artificial atoms

We present a theoretical study of the charging spectra in natural and artificial atoms. We apply a model electrostatic potential created by a homogenously charged sphere. This model potential allows for a continuous passage from the Coulomb potential of the nucleus to parabolic confinement potential of quantum dots. We consider electron systems with N=1,…,10 electrons with the use of the Hartree–Fock method. We discuss the qualitative similarities and differences between the chemical potential spectrum of electron systems bound to nucleus and confined in quantum dots.     

Universal elementary constituents of potential transformations shifting waves (qualitative theory)

It is shown that the potential perturbation that shifts a chosen standing wave in space is a block of potential barrier and well for every wave bump between neighbouring knots. The algorithms shifting the range of the primary localization of a chosen bound state in a potential well of finite width are as well applicable to the scattering functions if states of the continuous spectrum are considered as bound states normalized to unity but distributed on an infinite interval with vanishing density. The potential perturbations of the same type on the half-axis concentrate the scattering wave at the origin, thus creating a bound state embedded into the continuous spectrum (zero width resonance).     

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.     

On the Zero-Energy-Limit Solution for the Modified Gross–Pitaevskii Equation

The modified Gross–Pitaevskii equation was derived and solved to obtain the 1D solution in the zero-energy limit. This stationary solution could account for the dominated contributions due to the kinetic effect as well as the chemical potential in inhomogeneous Bose gases.