Further Study of A-Related Quantum Interference of H-State Diatomic on Collision-Induced Rotational Energy Transfer

In our previous theoretical studies [Meng-Tao Sun, Yong-Qing Lee, and Feng-Cai Ma, Chem. Phys.Left. 371 （2003） 342], we have reported the quantum interference on collision-induced rotational energy transfer on CO （A ^1 Π,v = 3） with inert gases, which originates from the difference between the two A-related collision potential energy surfaces. The interference angle, which measures the degree of coherence, is presented in this paper. Based on the time-dependent first order Born approximation, taking into account the anisotropic Lennard-Jones interaction potentials, the relation of the interference angle with the factors, including experimental temperature, partner, and rotational quantum number, are obtained. The changing tendencies with them are discussed. This theoretical model is important to understanding and performing this kind of experiment.     

The differential interference angle in collisional quantum interference on rotational energy transfer

Collisional quantum interference （CQI） in the intramolecular rotational energy transfer was observed in experiment by Sha and co-workers. The interference angle, which measuring the degree of the coherence, were measured in the experiment of the static cell. Based on the first Born approximation of time dependent perturbation theory, taking into accounts the anisotropic Lennard-Jones interaction potentials, this paper describes the theoretical model of CQI in intramolecular rotational energy transfer in an atom-diatom collision system. In the model, the differential interference angle for the experiment of the molecular beam is calculated, the changing tendencies of the differential interference angle with the impact parameter and collision partners are obtained. This theoretical model is important for understanding or performing this kind of experiments.     

Collisional quantum interference on rotational energy transfer： physical interpretation of the differential interference angle

Collisional quantum interference （CQI） on the intramolecular rotational energy transfer is observed in an experiment with a static cell, and the integral interference angles are measured. To obtain more accurate information, an experiment with a molecular beam is carried out, and thereby the relationship between the differential interference angle and the scattering angle is obtained. Based on the first-Born approximation of time-dependent perturbation theory, the theoretical model of CQI is developed in an atom-diatom system in the condition of the molecular beam, with the long-range interaction potential taken into account. The method of measuring correctly the differential interference angle is presented. The tendencies of the differential interference angle changing with the impact parameter and rel- ative velocity are discussed. The theoretical model presented here is important for understanding or performing the experiment in the molecular beam.     

Relationship Between Differential Interference Angle and Parameter of Experiment in Molecular Beam

Collisional quantum interference （CQI） was observed in the intramolecular rotational energy transfer in the experiment of the static cell, and the integral interference angles were measured. To observe more precise information, the experiment in the molecular beam should be taken,from which the relationship between the differential interference angle and the scattering angle can be obtained. In this paper, the theoretical model of CQI is described in an atom-diatom system in the condition of the molecular beam, based on the first-Born approximation of time-dependent perturbation theory, taking into accounts the long-range interaction potential. The method of observing and measuring correctly the differential interference angle is presented. The changing tendency of the differential interference angle with the impact parameter and relative velocity is discussed. The changing tendencies of the differential interference angle with the parameter of experiment in the molecular beam, including the impact parameter and the velocity are discussed. This theoretical model is important to understand or perform the experiment in the molecular beam.     

Interference Angle on Quantum Rotational Energy Transfer in Na＋Na2 （A1 ∑u^＋,v=8-b^3∏0u,v=14） Molecular Collision System

In order to study the collisional quantum interference （CQI） on rotational energy transfer in atom-diatom system, we have studied the relation of the integral interference angle and differential interference angle in Naq-Na2 （A1 ∑u^＋,v=8-b^3∏0u,v=14） collision system. In this paper, based on the first-Born approximation of timedependent perturbation theory and taking into accounts the anisotropic effect of Lennard-Jones interaction potentials, we present a theoretical model of collisional quantum interference in intramolecular rotational energy transfer, and a relationship between differential and integral interference angles.     

The differential interference angle of ^2∏[Case（a）] diatom on rotational energy transfer in NO（X^2∏） collision with He,Ne and Ar system

To study theoretically the relationship between the differential interference angle and the scattering angle in collisional quantum interference （CQI）, we have investigated the differential interference angle of the atom-diatomic [case（a）] molecule system in detail. For the 2∏ electronic state in Hund＇s case （a）, the degree of the differential interference is also discussed. The differential interference angles of NO（X^2∏） are calculated quantitatively for the rotational energy transfer in Hund＇s case （a） induced by collision with He, Ne and Ar atoms. The method to calculate the differential interference angle is presented. Several factors that affect the differential interference angle are investigated. Finally the variation of the differential interference angle with the impact parameter and relative velocity is discussed.     

Collisional Quantum Interference on Rotational Energy Transfer： Relation Between Integral Interference Angle and Rotational Quantum Number in Na2（A^1∑u^＋,ν=8～b^3∏0u,ν=14）-Na System

Collisional quantum interference （CQI） on rotational energy transfer was observed in Na2（A^1∑u^＋,ν=8～b^3∏0u,ν=14） system in collision with Na [Chem. Phys. Lett. 318 （2000） 107], and the degree of the interference was measured. The integral interference angle was obtaJned through theoretical calculation. We will research the factors that have effect on collisional quantum interference on rotational energy transfer in Na2（A^1∑u^＋,ν=8～b^3∏0u,ν=14）-Na system. Basing on the time-dependent first order Born approximation, and taking into account the anlsotroplc Lennard Jones interaction potentials and ＂straight-line＂ trajectory approximation, we obtain the factors that have effect on CQI in Na2-Na system, and obtain the relation between the integral interference angle and rotational quantum number.     

A Conjecture on the Origin of Dark Energy

A conjecture on the origin of the dark energy in our universe is proposed. The analysis indicates that the dark energy may originate from the quantum fluctuations of space-time limited in our universe. Applying both the uncertainty principle and the holographic principle, the author finds that the density of such quantum fluctuation energy is pv = 3c^4/32GL^2H, where LH is the size of the event horizon of our universe and G is the gravitational constant. Using this dark energy model which contains no adjustable parameters, we obtain the current fraction ΩA ≡ ρv/ρc ≈ π/4 and the corresponding equation of state w(z) ≈ -1 (1 - π/4)z with ρc being the critical energy density. These theoretical results are perfectly consistent with the recent cosmological observations. The striking coincidence implies that the quantum fluctuation energy of space-time may be the only source of dark energy. In addition, the analysis shows that the vacuum fluctuation energy does exist, but it comes from spacetime rather than matter. This may have some deep implications for discrete space-time and quantum gravity.     

Effects of collision energy and rotational quantum number on stereodynamics of the reactions:H(~2S)+NH(v=0,j=0,2,5,10)→N(~4S)+H_2

The stereodynamical properties of H(~2S) + NH(v = 0,j = 0,2,5,10)→N(~4S) + H_2 reactions are studied in this paper by using the quasi-classical trajectory(QCT) method with different collision energies on the double many-body expansion(DMBE) potential energy surface(PES)(Poveda L A and Varandas A J C 2005 Phys.Chem.Chem.Phys.7 2867).In a range of collision energy from 2 to 20 kcal/mol,the vibrational rotational quantum numbers of the NH molecules are specifically investigated on v = 0 and j = 0,2,5,10 respectively.The distributions of P(θ_r),P(φ_r),P(θ_r,φ_r),(2π/σ)(dσ_(00)/dω_t)differential cross-section(DCSs) and integral cross-sections(ICSs) are calculated.The ICSs,computed for collision energies from 2 kcal/mol to 20 kcal/mol,for the ground state are in good agreement with the cited data.The results show that the reagent rotational quantum number and initial collision energy both have a significant effect on the distributions of the k-j',the k-k'-j',and the k-k' correlations.In addition,the DCS is found to be susceptible to collision energy,but it is not significantly affected by the rotational excitation of reagent.     

EFFECT OF DIELECTRIC CONSTANT ON THE EXCITON GROUND STATE ENERGY OF CdSe QUANTUM DOTS

The B-spline technique is used in the calculation of the exciton ground state energy based on the effective mass approximation (EMA) model. The exciton is confined in CdSe microspherical crystallites with a finite-height potential wall (dots). In this approach, (a) the wave function is allowed to penetrate to the outside of the dots; (b) the dielectric constants of the quantum dot and the surrounding material are considered to be different; and (c) the dielectric constant of the dots are size-dependent. The exciton energies as functions of radii of the dots in the range 0.5-3.5 nm are calculated and compared with experimental and previous theoretical data. The results show that: (1) The exciton energy is convergent as the radius of the dot becomes very small. (2) A good agreement with the experimental data better than other theoretical results is achieved. (3) The penetration (or leaking) of the wave function and the difference of the dielectric constants in different regions are necessary for correcting the Coulomb interaction energy and reproducing experimental data. (4) The EMA model with B-spline technique can describe the status of excition confined in quantum dot very well.     

The QE numerical simulation of PEA semiconductor photocathode

Several kinds of models have already been proposed to explain the photoemission process. The exact photoemission theory of the semiconductor photocathode was not well established after decades of research. In this paper an integral equation of quantum efficiency (QE) is constructed to describe the photoemission of positive electron affinity (PEA) of the semiconductor photocathode based on the three-step photoemission model. Various factors (e.g., forbidden band gap, electron affinity, photon energy, incident angle, degree of polarization, refractive index, extinction coefficient, initial and final electron energy, relaxation time, external electric field and so on) have an impact on the QE of the PEA semiconductor photocathode, which are entirely expressed in the QE equation. In addition, a simulation code is also programmed to calculate the QE of the K₂CsSb photocathode theoretically at 532 nm wavelength. By and large, the result is in line with the expected experimental value. The reasons leading to the distinction between the experimental and theoretical QE are discussed.     

Surface Corrugation in Rotational and Diffractive Scattering of O2 from LiF （001）

A quantum dynamic calculation on a five-dimensional O2/LiF （001） model system is performed using the multi-configuration time-dependent Hartree method. The obtained results show that the mechanism of rotational and diffractive excitation in details： Comparison with the rotational excited state, the initially non-rotational state is seen to favor the inelastic scattering in the rotational excitation process. The surface corrugation can damp the quantum interferences and produce a greater amount of rotational inelastic scattering at the expense of the elastic process in the rotational excitation process. The diffraction process and the average energy transferred into the rotational and diffractive mode are also discussed.     

Production of projectile and target-vacancy in near-symmetric collisions of 60–100 MeV Cu~(9+) ions with thin Zn target

We report studies on both target and projectile K-shell ionization by collisions of Cu~(9+)ions on the thin Zn target in the energy range of 60–100 Me V. In this work, the relative ratio for the production of the target to projectile K-vacancy is measured. The result shows that it almost remains stable over this energy range and has good consistency with the predictions by vacancy transfer via the 2pσ–1sσ rotational coupling, which gives experimental evidence for K-vacancy sharing between two partners. Furthermore, the discussion for comparisons between the experimental ionization cross sections and the possible theoretical estimations is presented. These comparisons suggest that the experimental data agree well with those predicted by the Binary–Encounter approximation(BEA) model but are not in good agreement with the modified BEA calculations. It allows us to infer that the direct ionization(and/or excitation) is of importance to initial K-vacancy production before 2pσ–1sσ transitions in the present collision condition.     

Error analysis on dihedral angle of corner-cube reflectors in Fourier transform spectrometer北大核心CSCD

Fourier transform spectrometer is an important spectral analysis instrument. To research the influence of the dihedral angle error of corner-cube reflectors on interference quality of oscillating Fourier transform spectrometer, the theoretical analysis and computer simulation were carried out. According to the oscillating Fourier transform spectrometer model, the mathematical expressions of the interference intensity and modulation depth with dihedral angle error were deduced. The tolerance of dihedral angle was determined by the modulation depth criterion. The optical design software Zemax was used to establish the model for simulation and verify the results of theoretical derivation. According to the modulation depth criterion, the tolerance of dihedral angle obtained by the theoretical model is 2.52″, and that obtained by the Zemax simulation is 2.38″. The error is 0.14″, which is acceptable. The analysis results show that the established theoretical model is reasonable, which has certain reference value for the design and installation of oscillating Fourier transform spectrometers. © 2022 Editorial office of Journal of Applied Optics. All rights reserved.     

Close coupling calculations for excitation partial cross sections in Ne--HF collisions

This paper reports that an exact quantum close coupling calculation is carried out for rotational excitation in Ne HF collisions on the available anisotropic potential. Partial cross sections are obtained separately at the incident energies of 48.35, 75, 120 and 150meV. The reliability of the results is demonstrated by comparison with previously published theoretical findings. Based on the calculations, the effect of the potential energy surface on the excitation partial cross sections is discussed in detail.     

A b initio calculation of the growth of Te nanorods and Bi2Te3 nanoplatelets

In this paper the growth mechanism of a Te/Bi2Te3 novel structure is studied by ab-initio calculations. The results show that the growth of Te nanorods is determined by the adsorption energy of Te atoms on different crystalline Te surfaces. The adsorption energy of Te on the Te （001） surface is 3.29 eV, which is about 0.25 eV higher than that of Te on the Te （110）. This energy difference makes the preferential growth direction along the 〈 001 〉 direction. In addition, the higher surface energy of Bi2Te3 （110） and the lattice misfit between crystalline Bi2We3 and Te along 〈 001 〉 direction are considered to explain the growth of the Bi2Te3 nanoplatelets, in which Volmer-Weber model is used. The theoretical results are in agreement with experimental observation.     

Projected total energy surface description for axial shape asymmetry in 172W

The projected total energy surface(PTES)approach has been developed based on the triaxial projected shell model(TPSM)hybridized with the macroscopic–microscopic method.The total energy of an atomic nucleus is decomposed into macroscopic,microscopic and rotational terms.The macroscopic and microscopic components are described with the liquid drop model and Strutinsky method,respectively,and the rotational energy is given by the TPSM,the term beyond the mean field.To test theory,the PTES calculations have been carried out for the yrast states of the well deformed rare earth nucleus172W,and the theoretical results are in good agreement with the experimental data.By using the equilibrium quardrupole deformations(ε2andγ)determined by the PTES,the calculation of the transition quardrupole moment(Qt)in function of spin also reproduces the experimental data.A comparison between the PTES and TRS methods has been made for theoretical and application uses.     

Monte Carlo Simulation on Energy Deposition of Low-Energy Electrons in Liquid Water

A Monte Carlo approach to simulate the transport and energy deposition of low energy electrons (E0≤10keV) in liquid water is presented. The elastic scattering of electrons is described by Mott cross section, which is derived from the relativistic wave equation of Dirac. The inelastic scattering model of electrons is based on the dielectric response theory with exchange effect included. A new method of sampling various inelastic scattering events is proposed in the simulation. Using the approach stated, the spatial distribution of inelastic scattering events and energy deposition of electrons in liquid water are computed and the results are compared with other theoretical studies.     

Destructive Interference in a A-Type Coherently Driven Mazer

We derive an expression of the interaction between a quantum cavity field and an ultracold A-type three-level atom in which two upper levels are coupled by a coherent driving field. The effects of the driving-induced atomic coherence on the atomic emission probability are investigated. It is found that, due to the driving-induced atomic coherence, there are two transition channels for the atom interacting with the cavity field. Between the two transition channels, there is a quantum interference, which is a destructive interference. This destructive quantum interference suppresses the emission of the atom. The atomic emission probability decreases with the increasing driving field.     

Contact angle hysteresis in electrowetting on dielectric

Contact angle hysteresis(CAH) is one of the significant physical phenomena in electrowetting on dielectric(EWOD).In this work, a theoretical model is proposed to characterize electrowetting evolution on substrates with CAH, and the relationship among apparent contact angle, potential, and some other parameters is quantified. And this theory is also validated experimentally. The results indicate that our theory and equation based on energy balance succeed in describing the electrowetting response of potential with significant contact angle hysteresis. The CAH in EWOD, ranging from 0° to about 20° in electrowetting cycle, increases with the increase of voltage and climbs up to about 20° when voltage is increased to about 38 V, and then decreases to zero with the further increase of voltage.