Quantum calculation of transition probabilities, cross sections and thermal rate constant for the H++LiH(v,j) inelastic scattering

2006 ◽  
Vol 765 (1-3) ◽  
pp. 115-120 ◽  
Author(s):  
Sinan Akpinar ◽  
Fahrettin Gogtas
Keyword(s):  
Inelastic Scattering ◽  
Rate Constant ◽  
Cross Sections ◽  
Transition Probabilities ◽  
Quantum Calculation ◽  
Thermal Rate Constant

Analysis of STEM micrographs of thick objects

1978 ◽  
Vol 36 (2) ◽  
pp. 106-107
Author(s):  
S. Golladay
Keyword(s):  
Inelastic Scattering ◽  
Multiple Scattering ◽  
Mass Distribution ◽  
Cross Sections ◽  
Phase Contrast ◽  
Image Point ◽  
Contrast Effects ◽  
Total Cross Sections ◽  
Elastic And Inelastic Scattering

The theory of multiple scattering has been worked out by Groves and comparisons have been made between predicted and observed signals for thick specimens observed in a STEM under conditions where phase contrast effects are unimportant. Independent measurements of the collection efficiencies of the two STEM detectors, calculations of the ratio σe/σi = R, where σe, σi are the total cross sections for elastic and inelastic scattering respectively, and a model of the unknown mass distribution are needed for these comparisons. In this paper an extension of this work will be described which allows the determination of the required efficiencies, R, and the unknown mass distribution from the data without additional measurements or models. Essential to the analysis is the fact that in a STEM two or more signal measurements can be made simultaneously at each image point.

Rate Constants, Reactive Flux

2018 ◽  
Author(s):  
Niels Engholm Henriksen ◽  
Flemming Yssing Hansen
Keyword(s):  
Correlation Function ◽  
Rate Constant ◽  
Cross Sections ◽  
Time Correlation ◽  
Time Correlation Function ◽  
Exact Expression ◽  
Reaction Cross ◽  
Dividing Surface ◽  
Definition Of ◽  
Reactive Flux

This chapter discusses a direct approach to the calculation of the rate constant k(T) that bypasses the detailed state-to-state reaction cross-sections. The method is based on the calculation of the reactive flux across a dividing surface on the potential energy surface. Versions based on classical as well as quantum mechanics are described. The classical version and its relation to Wigner’s variational theorem and recrossings of the dividing surface is discussed. Neglecting recrossings, an approximate result based on the calculation of the classical one-way flux from reactants to products is considered. Recrossings can subsequently be included via a transmission coefficient. An alternative exact expression is formulated based on a canonical average of the flux time-correlation function. It concludes with the quantum mechanical definition of the flux operator and the derivation of a relation between the rate constant and a flux correlation function.

Neutron diffraction, inelastic scattering and the structure of amphiphiles and macromolecules in solution

1975 ◽  
Vol 345 (1640) ◽  
pp. 119-144 ◽  
Keyword(s):  
Neutron Diffraction ◽  
Inelastic Scattering ◽  
Cross Sections ◽  
Biological Molecules ◽  
Variation Method ◽  
Contrast Variation ◽  
Structure And Dynamics ◽  
Spin Resonance ◽  
Scattering Lengths ◽  
Scattering Cross Sections

The methods by which neutron diffraction and inelastic scattering may be used to study the structure and dynamics of solutions are reviewed, with particular reference to solutions of amphiphile and biological molecules in water. Neutron methods have particular power because the scattering lengths for protons and deuterons are of opposite sign, and hence there exists the possibility of obtaining variable contrast between the scattering of the aqueous medium and the molecules in it. In addition, the contrast variation method is also applicable to inelastic scattering studies whereby the dynamics of one component of the solution can be preferentially studied due to large and variable differences in the scattering cross sections. Both applications of contrast variation are illustrated with examples of amphiphile-water lamellar mesophases, diffraction from collagen, viruses, and polymer solutions. Inelastic scattering observations and the dynamics of water between the lamellar sheets allow microscopic measurements of the water diffusion along and perpendicular to the layers. The information obtained is complementary to that from nuclear magnetic resonance and electron spin resonance studies of diffusion.

scholarly journals Saturation effects in SIDIS at very forward rapidities

2021 ◽  
Vol 2021 (7) ◽  
Author(s):  
E. Iancu ◽  
A. H. Mueller ◽  
D. N. Triantafyllopoulos ◽  
S. Y. Wei
Keyword(s):  
Inelastic Scattering ◽  
Cross Section ◽  
Cross Sections ◽  
Virtual Photon ◽  
Large Fraction ◽  
Quark Distribution ◽  
High Energy ◽  
Longitudinal Momentum ◽  
Black Disk ◽  
Gluon Saturation

Abstract Using the dipole picture for electron-nucleus deep inelastic scattering at small Bjorken x, we study the effects of gluon saturation in the nuclear target on the cross-section for SIDIS (single inclusive hadron, or jet, production). We argue that the sensitivity of this process to gluon saturation can be enhanced by tagging on a hadron (or jet) which carries a large fraction z ≃ 1 of the longitudinal momentum of the virtual photon. This opens the possibility to study gluon saturation in relatively hard processes, where the virtuality Q2 is (much) larger than the target saturation momentum $$ {Q}_s^2 $$ Q s 2 , but such that z(1 − z)Q2 ≲ $$ {Q}_s^2 $$ Q s 2 . Working in the limit z(1 − z)Q2 ≪ $$ {Q}_s^2 $$ Q s 2 , we predict new phenomena which would signal saturation in the SIDIS cross-section. For sufficiently low transverse momenta k⊥ ≪ Qs of the produced particle, the dominant contribution comes from elastic scattering in the black disk limit, which exposes the unintegrated quark distribution in the virtual photon. For larger momenta k⊥ ≳ Qs, inelastic collisions take the leading role. They explore gluon saturation via multiple scattering, leading to a Gaussian distribution in k⊥ centred around Qs. When z(1 − z)Q2 ≪ Q2, this results in a Cronin peak in the nuclear modification factor (the RpA ratio) at moderate values of x. With decreasing x, this peak is washed out by the high-energy evolution and replaced by nuclear suppression (RpA< 1) up to large momenta k⊥ ≫ Qs. Still for z(1 − z)Q2 ≪ $$ {Q}_s^2 $$ Q s 2 , we also compute SIDIS cross-sections integrated over k⊥. We find that both elastic and inelastic scattering are controlled by the black disk limit, so they yield similar contributions, of zeroth order in the QCD coupling.

Differential cross-section measurements in positron–argon collisions

1996 ◽  
Vol 74 (7-8) ◽  
pp. 505-508 ◽  
Author(s):  
R. M. Finch ◽  
Á. Kövér ◽  
M. Charlton ◽  
G. Laricchia
Keyword(s):  
Elastic Scattering ◽  
Differential Cross Section ◽  
Inelastic Scattering ◽  
Energy Range ◽  
Cross Section ◽  
Cross Sections ◽  
Differential Cross ◽  
Coupling Effect ◽  
Channel Coupling ◽  
Scattering Cross

Differential cross sections for elastic scattering and ionization in positron–argon collisions as a function of energy (40–150 eV) are reported at 60°. Of particular interest is the energy range 55–60 eV, where earlier measurements by the Detroit group found a drop in the elastic-scattering cross section of a factor of 2. This structure has been tentatively attributed to a cross channel-coupling effect with an open inelastic-scattering channel, most likely ionization. Our results indicate that ionization remains an important channel over the same energy range and only begins to decrease at an energy above 60 eV.

Inelastic scattering of interstellar silyl cyanide (SiH3CN) by helium atoms : cross-sections and rate coefficients for A- and E-SiH3CN

2021 ◽  
Vol 507 (4) ◽  
pp. 5264-5271
Author(s):  
Manel Naouai ◽  
Abdelhak Jrad ◽  
Ayda Badri ◽  
Faouzi Najar
Keyword(s):  
Inelastic Scattering ◽  
Total Energy ◽  
Cross Sections ◽  
Three Dimensional ◽  
Basis Set ◽  
Rate Coefficients ◽  
Close Coupling ◽  
Explicitly Correlated ◽  
Correlation Consistent ◽  
Triple Excitation

ABSTRACT Rotational inelastic scattering of silyl cyanide (SiH3CN) molecule with helium (He) atoms is investigated. Three-dimensional potential energy surface (3D-PES) for the SiH3CN–He interacting system is carried out. The ab initio 3D-PES is computed using explicitly correlated coupled cluster approach with single, double, and perturbative triple excitation CCSD(T)-F12a connected to augmented-correlation consistent-polarized valence triple zeta Gaussian basis set. A global minimum at (R = 6.35 bohr; θ = 90○; ϕ = 60○) with a well depth of 52.99 cm−1 is pointed out. Inelastic rotational cross-sections are emphasized for the 22 first rotational levels for total energy up to 500 cm−1 via close coupling (CC) approach in the case of A-SiH3CN and for the 24 first rotational levels for total energy up to 100 cm−1 via CC and from 100 to 500 cm−1 via coupled states (CS) in the case of E-SiH3CN. Rate coefficients are derived for temperature until 80 K for both A- and E-SiH3CN–He systems. Propensity rules are obtained for |ΔJ| = 2 processes with broken parity for A-SiH3CN and for |ΔJ| = 2 processes with |ΔK| = 0 and unbroken parity for E-SiH3CN.

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