Theory of collision effects on atomic and molecular line shapes

A review of recent developments in the theory of the effects of binary collisions on the spectral profiles associated with atomic and molecular systems is presented. To consistently account for collisional perturbations of both the internal energy levels and the velocity of active (emitting or absorbing) atoms or molecules, one must use a theory in which the center-of-mass motion of the active atoms has been quantized. Following this procedure general equations for absorption or emission line shapes are obtained. The line shapes may exhibit narrowing or broadening with increasing perturber pressure, depending upon the nature of the collision interaction. The physical significance of the collision mechanisms giving rise to such behavior is discussed, as is the experimental evidence in support of the theory. Various applications of the theory are presented.     

Dependence of the differential cross sections for radiative-collisional excitation of metastable atomic states on the polarization of radiation

We calculate the total and differential cross sections for radiative-collisional excitation of the metastable 2¹S state of He atoms at collisions with Ne atoms in external radiation fields of various frequencies and polarizations. The calculations are performed for a thermal collision energy of E = 10^?3 atomic units and light intensity of I = 1 MW cm^?2, which corresponds to a single photon absorption by a quasi-molecule during the collision. Both the differential and total cross sections are shown to depend strongly on the relative orientation of the radiation polarization vector and the initial relative velocity vector of the colliding atoms. We analyze the azimuthal scattering asymmetry related to the orientation of the angular momentum of the absorbed photon.     

超低温下钠原子散射特性研究

超低温下钠原子的散射特性对原子间的相互作用势非常敏感.本文基于构造精确的原子间相互作用势,详细研究了在超冷温度下处在超精细态|F=2,mF=2〉下23Na原子的弹性散射特性.我们分别用Numerov和半经典方法计算了散射长度和有效程,得到了较满意的结果.低能散射截面有丰富的共振现象产生,我们发现并给出了d-波和g-波形状共振的能级位置和共振宽度;此外,我们还对仅两个分波有贡献情况下的微分散射截面进行了理论计算.     

Effective probabilities in a new approach to analyzing angular distributions in elastic heavy-ion scattering

A new approach proposed previously to analyze angular distributions in elastic heavy-ion scattering is generalized to cases where total partial probabilities (that is, those that are summed over all channels) of the enhancement of “fusion” (in general, complete and incomplete fusion, quasifission, and deep-inelastic collisions) are commensurate with the total partial probabilities of the suppression of “fusion.” This could be done with the aid of effective total partial probabilities, each of these being defined as a linear combination of actual total partial probabilities. It is shown that the probabilities introduced in this way have a specific physical meaning. Indeed, the effective total partial probabilities make it possible to calculate the cross section for “fusion” through the entrance channel and some reference total cross sections for peripheral processes, and a conclusion on whether fusion and peripheral reactions are enhanced or suppressed can be drawn from a comparison of the calculated or measured results for, respectively, the fusion cross section and the total cross section for peripheral reactions with the above two cross sections. It is also found that the enhancement of fusion is accompanied by the suppression of peripheral reactions, and vice versa.     

Radiative quenching and excitation of metastable states upon differential scattering of atoms: II. The He(1<Superscript>1</Superscript><Emphasis Type="Italic">S</Emphasis>–2<Superscript>1</Superscript><Emphasis Type="Italic">S</Emphasis>)-Ne molecule

The differential cross sections of radiative-collisional quenching (absorption) of a metastable state of a colliding atom are calculated for the first time. As a particular example, the reaction of quenching (excitation) of the metastable state He(2¹S) in collisions with Ne atoms in the ground state is considered. The calculations are performed for the thermal collisional energy E = 10^?3 au for a wide range of radiation frequencies, including both wings and the center of the line of a forbidden atomic transition, and are based on the uniform quasi-classical approximation, which generalizes the Franck-Condon approximation to the case of an exponential dependence of the transition dipole moment on the internuclear distance, as well as to the case of nonintersecting terms. The calculated differential cross sections have an oscillating structure, which, for the blue wing of the forbidden spectral line, is interpreted as Stückelberg oscillations. At a radiation frequency close to the frequency of the forbidden atomic transition, a sharp maximum in the differential cross section—the giant glory effect—is observed in the range of small scattering angles. This effect is shown to occur as a result of superimposition of the rainbowlike feature of the differential cross section on the glory feature.     

Relative intensities in X-ray photoelectron spectra: Part XI. Calculation of photoionization cross sections for valence levels of SiF4

Partial photoionization cross sections for valence MOs of SiF₄ have been calculated by the method of multiple scattering with atomic amplitudes (MSAA) for excitation energies ranging from the ionization threshold to 60 eV. The cross section behavior near the ionization thresholds is determined mainly by the shape resonances of t₂ and e symmetries. The resonance structure of photoionization cross sections is treated in terms of deviations from the additive model, and of conceptions of “quasi-stationary” states and “quasi-forbidden” bands. The energy positions of quasi-stationary states in SiF₄ are compared with the data obtained from X-ray absorption spectra. The dependence of theoretical cross sections on the inter-nuclear distances is studied.     

Recent positron-atom cross section measurements and calculations

We review recent cross section results for low-energy positron scattering from atomic targets. A comparison of the latest measurements and calculations for positron collisions with the noble gases and a brief update of the newest studies on other atoms is presented. In particular, we provide an overview of the cross sections for elastic scattering, positronium formation, direct and total ionisation, as well as total scattering, at energies typically between about 0.1 and a few hundred eV. We discuss the differences in the current experimental data sets and compare those results to the available theoretical models. Recommended data sets for the total cross section are also reported for each noble gas. A summary of the recent developments in the scattering from other atoms, such as atomic hydrogen, the alkali and alkaline-earth metals, and two-electron systems is finally provided.     

惰性气体原子与氢的同位素分子T2碰撞分波截面计算

用密耦计算方法及T.T(Tang-Toennies)势模型分别计算了入射能量E=0.05 eV、0.15 eV、0.25 eV时He、Ne、Ar、Kr、Xe-T2碰撞体系的00-00弹性碰撞和00-02非弹性碰撞分波截面,结果表明:对00-00弹性碰撞,分波截面随量子数J的增加不断振荡, 并随入射原子的相对碰撞能量的变化,振荡极大值的位置、收敛分波数等均有不同的变化.     

Bemerkungen zum „Regenbogeneffekt“ bei der Streuung von Atomen

The “rainbow” singularity in the differential scattering cross section for molecular collisions is a good means to get the potential depthε of the scattering potential in question. The connection between the “experimental” parameters (“rainbow”-angle, -width, and impact parameter) and the potential parameters of a given type of potential has to be given in tabular form. In this note such a table is given for the Kihara potential (2). Furthermore, it is shown that under conditions likely to occur in experiments, the usual approximation to the scattering cross section will have a nonnegligible error.     

Search for the neutrino magnetic moment in the elastic νe scattering

The possibility of detecting the anomalous neutrino magnetic moment from comparison of the “electromagnetic” and “electroweak” contributions to the differential and total cross sections of neutrino-electron scattering is considered. The results of quantitative analysis and a graphical image of the cross sections are presented for the case of scattering of beryllium solar neutrinos by an electronic target.     

中高能电子和N_2（~1∑_g~＋）、CO（~1∑~＋）弹性散射全截面的计算

此文采用由原子轨道线性组合构成的自洽场分子轨道（ＳＣＦ－ＬＣＡＯ－ＭＯ），用一级玻恩近似（ＦＢＡ）计算了能量为１００－５０００ｅＶ的电子与弹性散射的微分截面和全截面。由于采用了Ｇａｕｓｓ函数的线性组合拟合Ｓｌａｔｅｒ函数的方法（ＳＴＯ－ＫＧ），得到了弹性散射微分截面的解析表达式，使计算大大简化。计算得到的电子和Ｎ２，ＣＯ散射的总截面和实验结果进行了比较，当入射电子的能量大于１ｋｅＶ时，理论值和实验值之间符合得很好。     

Enhanced cooling of hydrogen atoms by lithium atoms

We present calculated scattering lengths for collisions between various isotopic forms of lithium and hydrogen atoms interacting via singlet and triplet molecular states of LiH. We demonstrate that one bound triplet level is supported for each isotopomer 7LiH, 6LiH, 7LiD, and 6LiD. We obtain large calculated triplet scattering lengths that are stable against uncertainties in the potential. We present elastic and momentum transfer cross sections, and the corresponding rate coefficients, for hydrogen atoms colliding with 7Li atoms. We suggest that enhanced cooling of trapped atomic hydrogen by 7Li atoms is feasible.     

Positron scattering from hydrogen atom embedded in weakly-coupled plasmas

Elastic scattering of positrons from the hydrogen atoms in weakly-coupled plasmas has been studied using an expression for partial wave scattering amplitude that has been derived within the framework second order distorted wave Born approximation. The interactions among the charged particles in the plasma have been represented by Debye-Hückel potentials. A detailed study has been made on differential and total cross sections in the energy range 20–300 eV. To the best of our knowledge such a study on the differential and total cross sections for elastic positron-hydrogen collisions in a weakly-coupled plasma environment is reported for the first time in the literature.     

Resonant charge exchange with the p-electron transition

The asymptotic resonant charge exchange theory is developed for slow collisions of atoms and ions with valent p-electrons. Because of a small rotation angle of the molecular axis in the course of the p-electron transition, the resonant charge exchange cross section is not sensitive to the rotational energy of colliding particles, and the cross sections are nearly equal for cases “a”, “b”, and “d” of the Hund coupling, and also for cases “c” and “e” of the Hund coupling. The cross sections of the resonant charge exchange process are evaluated under various conditions and for various elements of the periodical table with p-electron shells of atoms and ions.     

Total cross section prediction of the collisions of positrons and electrons with alkali atoms using Gradient Tree Boosting

A relatively new computational technique, namely gradient tree boosting (GTB), is presented for modeling the total cross sections of the scattering of positrons and electrons by alkali atoms in the low and intermediate energy regions. The calculations have been performed in the framework of gradient tree boosting (GTB). The GTB has been running based on the experimental data of the total collisional cross sections to produce the total cross sections for each alkali atom as a function of the incident energy of the projectile as well as the atomic number and the static dipole polarizability of the atom. Moreover our GTB model is used to predict the experimental data for total collisional cross sections that are not used in the training session. The calculated and predicted total collisional cross sections are compared with the experimental data. We find that the GTB technique shows a good match to the experimental data. To our knowledge, this is the first application of the GTB technique to the data of positron and electron collisions with alkali atoms at low and intermediate energies.     

Der Regenbogeneffekt und Interferenzerscheinungen bei molekularen Stößen

Crossed beam measurements of differential elastic scattering cross sections for collisions of alkali atoms with mercury and xenon atoms as well as with different molecules are presented. Special attention is given to the rainbow effect including supernumary rainbows and to interference effects connected with rainbow scattering. The observation of well resolved primary and supernumary rainbows together with interference patterns make the determination of a three parameter potential model possible. Partial wave numerical calculations of differential cross sections are used to evaluate potential parameters and to discuss the limits of the semiclassical rainbow theory. Elastic scattering between reactive collision partners is investigated too and interpreted in terms of a simple optical model.     

Cross sections of electron capture and electron capture ionization versus the impact parameter in collisions of a proton with multielectron atoms

The absolute differential cross sections of scattering of hydrogen atoms resulting from an electron capture and an electron capture ionization are measured for collisions of 4.5- and 11-keV protons with argon and xenon atoms. The range of scattering angles is 0°–2°. From the scattering differential cross section found experimentally, the probabilities of single-electron capture and electron capture ionization as a function of the impact parameter are calculated. The dependences of the incident particle scattering angle on the impact parameter (deviation function) for interactions with Ar and Xe atoms are calculated in terms of classical mechanics using the Moliére—Yukawa potential to describe the interaction of atomic particles. Analysis is given to the probabilities of electron capture and electron capture ionization versus the impact parameter and to the distribution of the electron density on different electron shells in a target atom versus a distance to the core. It is concluded that only electrons from the outer shell of the target atom are involved in the process of electron capture ionization. The cross section of electron capture ionization is calculated in the proton energy range 5–20 keV.     

Collisional and radiative processes with participation of highly excited states of atoms and molecules

A number of processes in which highly excited states of atoms and molecules participate are investigated. These processes are of interest for the kinetics of a low-temperature plasma, for atomic and molecular spectroscopy, and for astrophysics. A quasiclassical theory is developed for transitions between Rydberg states with change of the principal quantum number, and also for the processes of direct and associative ionization of highly excited atoms, which result from collisions between a neutral particle and its atomic core. The state of the inner electrons of a quasimolecular (molecular) ion is not altered by transitions of the outer electrons. Specific calculations are carried out for the case of the collision of hydrogen H(n) with helium He (1s²) atoms. It is shown that the cross sections and the rate constants of these processes are determined in this case by the mechanism investigated in the paper, and not by scattering of the Rydberg electron by the neutral particle. The cross sections for dipole excitation and dissociation of molecular ions from high vibrational energy levels by electron impact is calculated in the Born-Coulomb approximation. The cross sections and the rates of dissociative and three-particle attachment of electrons to ions are determined. The processes of autoionization and autodissociation decay of Rydberg states of vibrationally excited molecules are determined. Also investigated are radiative transitions near the dissociation limit of diatomic molecular ions and neutral molecules, viz., photodissociation and radiative decay of high vibrational levels, and photodissociation and translational (inverse-bremsstrahlung) absorption in collision of atomic particles.Translated from Trudy Ordena Lenina Fizicheskogo Instituta im. P. Lebedeva AN SSSR, Vol. 145, pp. 80–130, 1984.     

Rotationally inelastic,classical scattering from an anisotropic rigid shell potential of rotation symmetry

Rotational excitation in collisions of structureless atoms and diatomic rigid rotor molecules interacting by a rigid potential shell is considered in classical mechanics. The double differential cross sectionJ(u ^*,θ) for final (over initial) relative velocityu ^*=ν′/ν and deflection byθ is analytically related to the shell form in the case of vanishing initial molecular rotation.J(u ^*,θ) exhibits the strong structure of “bulge” scattering or “orientational rainbows” which has been observed in the K?N₂ and K-CO systems and is expected to occur in rotationally inelastic collisions of many nonreactive systems under appropriate scattering conditions. The present results elucidate the nature of the sensitive and direct relation of bulge scattering to the anisotropy of the intermolecular potential.     

Differential, elastic integral and moment transfer cross sections for electron scattering from N2 at intermediate- and high-energies

A complex optical model potential modified by incorporating the concept of bonded atom, with the overlapping effect of electron clouds between two atoms in a molecule taken into consideration, is firstly employed to calculate the differential cross sections, elastic integral cross sections, and moment transfer cross sections for electron scattering from molecular nitrogen over the energy range 300—1000eV by using additivity rule model at Hartree—Fock level. The bonded-atom concept is used in the study of the complex optical model potential composed of static, exchange, correlation polarization and absorption contributions. The calculated quantitative molecular differential cross sections, elastic integral cross sections, and moment transfer cross sections are compared with the experimental and theoretical ones wherever available, and they are found to be in good agreement with each other. It is shown that the additivity rule model together with the complex optical model potential modified by incorporating the concept of bonded atom is completely suitable for the calculations of differential cross section, elastic integral cross section and moment transfer cross section over the intermediate- and high-energy ranges.