Bimolecular Reactions, Dynamics of Collisions

Author(s):  
Niels Engholm Henriksen ◽  
Flemming Yssing Hansen

This chapter discusses the dynamics of bimolecular collisions within the framework of (quasi-)classical mechanics as well as quantum mechanics. The relation between the cross-section and the reaction probability, which can be calculated theoretically from a (quasi-)classical or quantum mechanical description of the collision, is described in terms of classical trajectories and wave packets, respectively. As an introduction to reactive scattering, classical two-body scattering is described and used to formulate simple models for chemical reactions, based on reasonable assumptions for the reaction probability. Three-body (and many-body) quasi-classical scattering is formulated and the numerical evaluation of the reaction probability is described. The relation between scattering angles and differential cross-sections in various frames is emphasized. The chapter concludes with a brief description of non-adiabatic dynamics, that is, situations beyond the Born–Oppenheimer approximation where more than one electronic state is in play. A discussion of the so-called Landau–Zener model is included.

2013 ◽  
Vol 12 (03) ◽  
pp. 1350015 ◽  
Author(s):  
ZHENYU XU ◽  
YUNHUI WANG ◽  
RUIFENG LU

The quasi-classical trajectory (QCT) calculations have been carried out for the reaction N + NH (v = 0–3, j=0) → N2 + H on the ground state of double many-body expansion (DMBE) potential energy surface [Caridade, PJSB, Poveda LA, Rodrigues SPJ, Varandas AJC, J Phys Chem A111:1172, 2007]. The influence of reagent vibrational excitation on reaction probability for total angular momentum J = 0 and integral cross section (ICS) at collision energies ranging from 0.1 eV to 1.0 eV has been investigated. The reaction probability tends to decrease with increasing collision energy and increase with the rising of initial vibration state, although some fluctuations appear. The ICS declines monotonously with the increase of collision energy and v. The product rotational alignment factor 〈P2(j′•k)〉 has also been calculated, and its value has a declining trend with the increase of collision energy. In spite of that, the results still show that the product is highly aligned. In addition, the vibrational excitation effect on the product polarization has also been studied. All the distributions of P(ϕr), P(θr), and the generalized polarization dependent differential cross sections indicate dependent behaviors on v.


2020 ◽  
Vol 102 (6) ◽  
Author(s):  
J. Casal ◽  
M. Rodríguez-Gallardo ◽  
J. M. Arias ◽  
E. Garrido ◽  
R. de Diego

2021 ◽  
Vol 2021 (3) ◽  
Author(s):  
Chen-Kai Qiao ◽  
Shin-Ted Lin ◽  
Hsin-Chang Chi ◽  
Hai-Tao Jia

Abstract The millicharged particle has become an attractive topic to probe physics beyond the Standard Model. In direct detection experiments, the parameter space of millicharged particles can be constrained from the atomic ionization process. In this work, we develop the relativistic impulse approximation (RIA) approach, which can duel with atomic many-body effects effectively, in the atomic ionization process induced by millicharged particles. The formulation of RIA in the atomic ionization induced by millicharged particles is derived, and the numerical calculations are obtained and compared with those from free electron approximation and equivalent photon approximation. Concretely, the atomic ionizations induced by mllicharged dark matter particles and millicharged neutrinos in high-purity germanium (HPGe) and liquid xenon (LXe) detectors are carefully studied in this work. The differential cross sections, reaction event rates in HPGe and LXe detectors, and detecting sensitivities on dark matter particle and neutrino millicharge in next-generation HPGe and LXe based experiments are estimated and calculated to give a comprehensive study. Our results suggested that the next-generation experiments would improve 2-3 orders of magnitude on dark matter particle millicharge δχ than the current best experimental bounds in direct detection experiments. Furthermore, the next-generation experiments would also improve 2-3 times on neutrino millicharge δν than the current experimental bounds.


2021 ◽  
Vol 4 (1) ◽  
Author(s):  
Fuyang Zhou ◽  
Yizhi Qu ◽  
Junwen Gao ◽  
Yulong Ma ◽  
Yong Wu ◽  
...  

AbstractAn ion embedded in warm/hot dense plasmas will greatly alter its microscopic structure and dynamics, as well as the macroscopic radiation transport properties of the plasmas, due to complicated many-body interactions with surrounding particles. Accurate theoretically modeling of such kind of quantum many-body interactions is essential but very challenging. In this work, we propose an atomic-state-dependent screening model for treating the plasmas with a wide range of temperatures and densities, in which the contributions of three-body recombination processes are included. We show that the electron distributions around an ion are strongly correlated with the ionic state studied due to the contributions of three-body recombination processes. The feasibility and validation of the proposed model are demonstrated by reproducing the experimental result of the line-shift of hot-dense plasmas as well as the classical molecular dynamic simulations of moderately coupled ultra-cold neutral plasmas. Our work opens a promising way to treat the screening effect of hot and warm dense plasma, which is a bottleneck of those extensive studies in high-energy-density physics, such as atomic processes in plasma, plasma spectra and radiation transport properties, among others.


2017 ◽  
Vol 26 (01n02) ◽  
pp. 1740025 ◽  
Author(s):  
J. Speth ◽  
N. Lyutorovich

Many-body Green functions are a very efficient formulation of the many-body problem. We review the application of this method to nuclear physics problems. The formulas which can be derived are of general applicability, e.g., in self-consistent as well as in nonself-consistent calculations. With the help of the Landau renormalization, one obtains relations without any approximations. This allows to apply conservation laws which lead to important general relations. We investigate the one-body and two-body Green functions as well as the three-body Green function and discuss their connection to nuclear observables. The generalization to systems with pair correlations are also presented. Numerical examples are compared with experimental data.


Atoms ◽  
2021 ◽  
Vol 9 (1) ◽  
pp. 18
Author(s):  
Hiroyuki Tajima ◽  
Junichi Takahashi ◽  
Simeon Mistakidis ◽  
Eiji Nakano ◽  
Kei Iida

The notion of a polaron, originally introduced in the context of electrons in ionic lattices, helps us to understand how a quantum impurity behaves when being immersed in and interacting with a many-body background. We discuss the impact of the impurities on the medium particles by considering feedback effects from polarons that can be realized in ultracold quantum gas experiments. In particular, we exemplify the modifications of the medium in the presence of either Fermi or Bose polarons. Regarding Fermi polarons we present a corresponding many-body diagrammatic approach operating at finite temperatures and discuss how mediated two- and three-body interactions are implemented within this framework. Utilizing this approach, we analyze the behavior of the spectral function of Fermi polarons at finite temperature by varying impurity-medium interactions as well as spatial dimensions from three to one. Interestingly, we reveal that the spectral function of the medium atoms could be a useful quantity for analyzing the transition/crossover from attractive polarons to molecules in three-dimensions. As for the Bose polaron, we showcase the depletion of the background Bose-Einstein condensate in the vicinity of the impurity atom. Such spatial modulations would be important for future investigations regarding the quantification of interpolaron correlations in Bose polaron problems.


2020 ◽  
Vol 239 ◽  
pp. 01001
Author(s):  
Guohui Zhang ◽  
Huaiyong Bai ◽  
Haoyu Jiang ◽  
Zengqi Cui ◽  
Yi Lu ◽  
...  

In the past two decades cooperating with Frank Laboratory of Neutron Physics (FLNP), Joint Institute for Nuclear Research (JINR) measurements of (n, α) reaction cross sections for 6Li, 10B, 25Mg, 39K, 40Ca, 54,56,57 Fe, 58Ni, 63Cu, 64,67 Zn, 95Mo, 143Nd and 147,149 Sm nuclei were performed in the MeV neutron energy region based on the 4.5 MV Van de Graaff accelerator at Peking University. In recent years, our measurements were extended in three aspects. Firstly, measurements were expanded from two-body reactions to three-body reactions such as 10B (n, t2 α). Secondly, the neutron energy region was extended from below 8 MeV to 8 - 11 MeV by using the HI-13 tandem accelerator of China Institute of Atomic Energy (CIAE), with which cross sections of 54,56 Fe(n, α)53,51Cr reactions were measured. Thirdly, based on the newly-built China Spallation Neutron Source (CSNS) Back-n WNS (White Neutron Source), differential and angle-integrated cross sections for 6Li(n, t) and 10B(n, α) reactions were measured in the neutron energy region from 1 eV to 3 MeV.


2022 ◽  
Vol 2022 (1) ◽  
Author(s):  
X. Chen ◽  
T. Gehrmann ◽  
E. W. N. Glover ◽  
A. Huss

Abstract The rare three-body decay of a Higgs boson to a lepton-antilepton pair and a photon is starting to become experimentally accessible at the LHC. We investigate how higher-order QCD corrections to the dominant gluon-fusion production process impact on the fiducial cross sections in this specific Higgs decay mode for electrons and muons. Corrections up to NNLO QCD are found to be sizeable. They are generally uniform in kinematical variables related to the Higgs boson, but display several distinctive features in the kinematics of its individual decay products.


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