State-to-state dynamics of F(~2P) + HO(~2Π) → O(~3P) + HF(~1Σ~+)reaction on 1~3A〞 potential energy surface

State-to-state time-dependent quantum dynamics calculations are carried out to study F(~2P) + HO(~2Π) → O(~3P) +HF(~1Σ~+) reaction on 1~3A〞 ground potential energy surface(PES). The vibrationally resolved reaction probabilities and the total integral cross section agree well with the previous results. Due to the heavy–light–heavy(HLH) system and the large exoergicity, the obvious vibrational inversion is found in a state-resolved integral cross section. The total differential cross section is found to be forward–backward scattering biased with strong oscillations at energy lower than a threshold of 0.10 eV, which is the indication of the indirect complex-forming mechanism. When the collision energy increases to greater than 0.10 eV, the angular distribution of the product becomes a strong forward scattering, and almost all the products are distributed at θ_t = 0°. This forward-peaked distribution can be attributed to the larger J partial waves and the property of the F atom itself, which make this reaction a direct abstraction process. The state-resolved differential cross sections are basically forward-backward symmetric for v' = 0, 1, and 2 at a collision energy of 0.07 eV; for a collision energy of 0.30 eV,it changes from backward/sideward scattering to forward peaked as v increasing from 0 to 3. These results indicate that the contribution of differential cross sections with more highly vibrational excited states to the total differential cross sections is principal, which further verifies the vibrational inversion in the products.     

Nonradiative charge transfer in collisions of protons with rubidium atoms

The nonradiative charge-transfer cross sections for protons colliding with Rb(5s) atoms are calculated by using the quantum-mechanical molecularorbital close-coupling method in an energy range of 10 3 keV-10 keV.The total and state-selective charge-transfer cross sections are in good agreement with the experimental data in the relatively low energy region.The importance of rotational coupling for chargetransfer process is stressed.Compared with the radiative charge-transfer process,nonradiative charge transfer is a dominant mechanism at energies above 15 eV.The resonance structures of state-selective charge-transfer cross sections arising from the competition among channels are analysed in detail.The radiative and nonradiative charge-transfer rate coefficients from low to high temperature are presented.     

High Energy Proton-Proton Elastic Scattering in the Pomeron Exchange Model

We study high energy proton-proton elastic scattering in the framework of Pomeron exchange model. The cross section of the process are calculated without any free parameters. Our finding is that Pomeron exchange theory gives perfect fits to total cross section at the energy of√s higher than 10 GeV and to differential cross section at the momentum transfer [t] less than 1.5 GeV2. For total cross section at lower energy √s ＜ 10 GeV and differential cross section at larger momentum transfer region of |t| ＞ 1.5 GeV2, the Pomeron exchange theory needs to be improved.     

SUSY QCD Impact on Top-Pair Production Associated with a Z^0-Boson at a Photon-Photon Collider

The top-pair production in association with a Z^0-boson at a photon-photon collider is an important process in probing the coupling between top-quarks and vector boson and discovering the signature of possible new physics. We describe the impact of the complete supersymmetric QCD （SQCD） next-to-leading order （NLO） radiative corrections on this process at a polarized or unpolarized photon collider, and make a comparison between the effects of the SQCD and the standard model （SM） QCD. We investigate the dependence of the lowest-order （LO） and QCD NLO corrected cross sections in both the SM and minimal supersymmetric standard model （MSSM） on colliding energy √s in different polarized photon collision modes. The LO, SM NLO, and SQCD NLO corrected distributions of the invariant mass of tt^--pair and the transverse momenta of final Z^0-boson are presented. Our numerical results show that the pure SQCD effects in γγ →tt^- Z^0 process can be more significant in the ＋＋ polarized photon collision mode than in other collision modes, and the relative SQCD radiative correction in unpolarized photon collision mode varies from 32.09% to -1.89% when √s goes up from 500 GeV to 1.5 TeV.     

Sequential over-barrier ionization of multi-electron atoms in the tens-to-hundreds keV/u energy range

Our previous work on the classical over-barrier ionization model for helium double ionization is extended to the complex multi-electron system of Ne.The total and q-fold ionization cross sections are calculated at energies ranging from a few tens to several hundred keV/u.The calculation results are in good agreement with the experimental data,and the energy dependence of the cross sections suggests that the multi-ionization of a strong perturbated complex atom is probably the sequential over-barrier ionization process.     

Positron total cross sections for collisions with N2 and CO2 at 30-3000 eV

The total (elastic plus inelastic) cross sections for positron scattering from N2 and CO2 over the incident energy range from 30 to 3000eV are calculated using the additivity rule model at Hartree-Fock level.A complex optical model potential modified by incorporating the concept of bonded atom, which takes into account the overlapping effect of electron clouds between two atoms in a molecule, is employed to calculate the total cross section of positron-molecule scattering. The calculated total cross sections are in good agreement with those reported by experiments and other theories over a wide energy range.     

THEORETICAL ASPECTS OF ELECTRON CAPTURE BY C~(6 ) AND O~(8 ) FROM H,He AND H_2

Many theoretical approaches to electron capture by C~(6 ), a nd O~(8 ) fromthe targets H,He and H_2 are discussed from the practical stand point at thepresent stage.The validity of several representative methods for the calcul-ation of total and state selective partial cross sections is given. For the total cross section in many theoretical methods can be appliedand give reasonable results.For the state selective partial cross section for adominant channel at low impact velocities manylevel coupled channel calcul-ations can be used and give reliable results,if it belongs to a dominant cha-nnel.     

Diffractive Scattering Factorization from J/ψ and γ Associated Production in HERA ep Collisions

Using three sets of Pomeron structure functions,the cross sections of J/ψ and γ associated production via resolved photon and proton diffractive scatting in ep collision are investigated.It is found that the cross sections calculated with various gluon distribution functions of Pomeron are different.The discrepancy is about 1.8 times for differential cross sections and 1.7 times for total cross sections.The experimental studies of the process could give valuable insight in the diffractive production mechanism and test the color-octet mechanism for heavy quarkonium production in a new environment.     

Investigations on molecular constants of the CD（X^2∏） radical and elastic collisions between ground-state C and D atoms at low temperatures

The potential energy curve of the CD(X~2Π) radical is obtained using the coupled-cluster singles-doublesapproximate-triples [CCSD(T)] theory in combination with the correlation-consistent quintuple basis set augmented with diffuse functions,aug-cc-pV5Z.The potential energy curve is fitted to the Murrell-Sorbie function,which is used to determine the spectroscopic parameters.The obtained D0,De,Re,ωe,ωeχe,αe and Be values are 3.4971 eV,3.6261 eV,0.11197 nm,2097.661 cm 1,34.6963 cm 1,0.2083 cm 1 and 7.7962 cm 1,respectively,which conform almost perfectly to the available measurements.With the potential obtained at the UCCSD(T)/aug-cc-pV5Z level of theory,a total of 24 vibrational states have been predicted for the first time when J = 0 by solving the radial Schr¨odinger equation of nuclear motion.The complete vibrational levels,the classical turning points,the inertial rotation constants and centrifugal distortion constants are reproduced from the CD(X~2Π) potential when J = 0,and are in excellent agreement with the available measurements.The total and the various partial-wave cross sections are calculated for the elastic collisions between the ground-state C and D atoms at energies from 1.0×10 11 to 1.0×10 4 a.u.when the two atoms approach each other along the CD(X~2Π) potential energy curve.Only one shape resonance is found in the total elastic cross sections,and the resonant energy is 8.36×10 6 a.u.The results show that the shape of the total elastic cross section is mainly dominated by the s partial wave at very low temperatures.Because of the weak shape resonances coming from higher partial waves,most of them are passed into oblivion by the strong total elastic cross sections.     

Elastic collisions between Si and D atoms at low temperatures and accurate analytic potential energy function and molecular constants of the SiD（χ^2П） radical

Interaction potential of the SiD(X2Π) radical is constructed by using the CCSD(T) theory in combination with the largest correlation-consistent quintuple basis set augmented with the diffuse functions in the valence range. Using the interaction potential, the spectroscopic parameters are accurately determined. The present D0, De, Re, ωe, αe and Be values are of 3.0956 eV, 3.1863 eV, 0.15223 nm, 1472.894 cm-1, 0.07799 cm-1 and 3.8717 cm-1, respectively, which are in excellent agreement with the measurements. A total of 26 vibrational states is predicted when J=0 by solving the radial Schro¨dinger equation of nuclear motion. The complete vibrational levels, classical turning points, initial rotation and centrifugal distortion constants when J=0 are reported for the first time, which are in good accord with the available experiments. The total and various partial-wave cross sections are calculated for the elastic collisions between Si and D atoms in their ground states at 1.0×10-11–1.0×10-3 a.u. when the two atoms approach each other along the SiD(X2Π) potential energy curve. Four shape resonances are found in the total elastic cross sections, and their resonant energies are of 1.73×10-5, 4.0×10-5, 6.45×10-5 and 5.5×10-4 a.u., respectively. Each shape resonance in the total elastic cross sections is carefully investigated. The results show that the shape of the total elastic cross sections is mainly dominated by the s partial wave at very low temperatures. Because of the weakness of the shape resonances coming from the higher partial waves, most of them are passed into oblivion by the strong s partial-wave elastic cross sections.     

Additivity rule for electron--molecule total cross section calculations at 50--5000eV: a new geometrical approach

Taking into consideration the changes of the geometric shielding effect in a molecule as the energy of incident electrons varies, this paper presents an empirical fraction, which depends on the energy of incident electrons, the target＇s molecular dimension and the atomic and electronic numbers in the molecule. Using this empirical fraction, it proposes a new formulation of the additivity rule. Employing the new additivity rule, it calculates the total cross sections of electron scattering by C2H4, C6H6, C6H14 and C8H18 over the energy range from 50 to 5000eV. In order to exclude the calculation deviations caused by solving the radial Schrodinger equation of electron scattering by atoms, here the atomic cross sections are derived from the experimental total cross section results of simple molecules （H2, O2, CO） via the inversion algorithm. The quantitative total cross sections are compared with those obtained by experiments and other theories, and good agreement is obtained over a wide energy range, even at energy of several tens of eV.     

Phenomenological Study of 3He Photodisintegration up to 150MeV

A parametrization of ^3He（7,p）2H cross section data at laboratory photon energies between 9 and 150MeV iscarried out with a simple phenomenological function. The differential cross section data are normalized to the total cross-section values which are consistent with the measurement from monochromatic photon beams. The obtained results give a good representation of the experimental points.     

Theoretical Studies on Expressions of Condensed-Phase Photoionization Cross Section

A set of general expressions for photoionization cross sections of atoms or molecules embedded in a medium and a dielectric influence function are derived based on Maxwell‘s equations and the Beer-Lambert‘s law in this work.The applications are performed for the photoionization process of solid gold both in the Clausius-Mossotti (virtual cavity) model and the Glauber-Lewenstein (real cavity) model firstly. The results show that the present theoretical expressions of photoionization cross section can be used to describe the photoionization process of atoms in condensed matter properly.     

Positron total cross sections for collisions with N_2 and CO_2 at 30-3000 eV

The total (elastic plus inelastic) cross sections for positron scattering from N2 and CO2 over the incident energy range from 30 to 3000eV are calculated using the additivity rule model at Hartree-Fock level. A complex optical model potential modified by incorporating the concept of bonded atom, which takes into account the overlapping effect of electron clouds between two atoms in a molecule, is employed to calculate the total cross section of positron-molecule scattering. The calculated total cross sections are in good agreement with those reported by experiments and other theories over a wide energy range.     

R-matrix calculation for photoionization

We have employed the R matrix method to calculate differential cross sections for photoionization of helium leaving helium ion in an excited state for incident photon energy between the N=2 and N=3 thresholds (69～73 eV) of He + ion. Differential cross sections for photoionization in the N=2 level at emission angle 0° are provide. Our results are in good agreement with available experimental data and theoretical calculations.     

Mechanism analysis of reaction S~+(~2D)+H_2(X~1Σ_g~+) → SH~+(X~3Σ~-) + H(~2S) based on the quantum state-to-state dynamics

We present a state-to-state dynamical calculation on the reaction S~++ H_2→ SH~+ +H based on an accurate ~X2 A~″ potential surface. Some reaction properties, such as reaction probability, integral cross sections, product distribution, etc.,are found to be those with characteristics of an indirect reaction. The oscillating structures appearing in reaction probability versus collision energy are considered to be the consequence of the deep potential well in the reaction. The comparison of the present total integral cross sections with the previous quasi-classical trajectory results shows that the quantum effect is more important at low collision energies. In addition, the quantum number inversion in the rotational distribution of the product is regarded as the result of the heavy–light–light mass combination, which is not effective for the vibrational excitation. For the collision energies considered, the product differential cross sections of the title reaction are mainly concentrated in the forward and backward regions, which suggests that there is a long-life intermediate complex in the reaction process.     

Quasi-classical trajectory study of H+LiH(v=0,1,2,j=0)→Li+H_2 reaction on a new global potential energy surface

Quasi-classical trajectory(QCT) calculations are reported for the H+LiH(v = 0–2, j = 0)→Li+H_2 reaction on a new ground electronic state global potential energy surface(PES) of the LiH_2 system. Reaction probability and integral cross sections(ICSs) are calculated for collision energies in the range of 0 eV–0.5 eV. Reasonable agreement is found in the comparison between present results and previous available theoretical results. We carried out statistical analyses with all the trajectories and found two main distinct reaction mechanisms in the collision process, in which the stripping mechanism(i.e., without roaming process) is dominated over the collision energy range. The polarization dependent differential cross sections(PDDCSs) indicate that forward scattering dominates the reaction due to the dominated mechanism. Furthermore,the reactant vibration leads to a reduction of the reactivity because of the barrierless and attractive features of PES and mass combination of the system.     

Resonant charge transfer in slow Li~+–Li(2s) collision

The resonant charge transfer process for Li+–Li(2s) collision is investigated by the quantum-mechanical molecular orbital close-coupling(QMOCC) method and the two-center atomic-orbital close-coupling(AOCC) method in an energy range of 1.0 e V/u–104e V/u. Accurate molecular structure data and charge transfer cross sections are given. Both the allelectron model(AEM) and one-electron model(OEM) are used in the QMOCC calculations, and the discrepancies between the two models are analyzed. The OEM calculation can also give a reliable prediction of the cross sections for energies below 1 ke V/u.     

Diffractive Scattering Factorization from J/ψ and γ Associated Production in HERA ep Collisions

Using three sets of Pomeron structure functions, the cross sections of J/ψ and γ associated productionvia resolved photon and proton diffractive scatting in ep collision are investigated. It is found that the cross sectionscalculated with various gluon distribution functions of Pomeron are different. The discrepancy is about 1.8 times fordifferential cross sections and 1.7 times for total cross sections. The experimental studies of the process could give valuableinsight in the diffractive production mechanism and test the color-octet mechanism for heavy quarkonium production ina new environment.     

Associated production of a neutral top-Higgs with a heavy-quark pair in the γγ collisions at ILC

We have studied the associated production processes of a neutral top-Higgs in the topcolor assisted technicolor model with a pair of heavy quarks in γγ collisions at the International Linear Collider (ILC). We find that the cross section for ttht in γγ collisions is at the level of a few fb with the c.m. energy √s=1000 GeV, which is consistent with the results of the cross section of ttH in the standard model and the cross section of tth in the minimal supersymmetric standard model. It should be clear that hundreds of to thousands of ht per year can be produced at the ILC. This process of γγ→ttht is really interesting in testing the standard model and searching the signs of technicolor.