An alternative view of unimolecular reaction theory

1977 ◽  
Vol 55 (2) ◽  
pp. 284-292 ◽  
Author(s):  
Huw Owen Pritchard
Keyword(s):  
Alternative View ◽  
Unimolecular Reaction ◽  
Matrix Elements ◽  
Stochastic Matrices ◽  
Total Rate ◽  
Primitive Form ◽  
Pressure Limit ◽  
The Matrix ◽  
Reaction Theory ◽  
Comparison Of The Results

A primitive form of unimolecular reaction theory is constructed, based on the master equation. Application of the theory depends upon the way in which eigenvalues of large stochastic matrices behave as certain of the matrix elements are varied. Some of the required eigenvalue properties have been deduced by numerical experiment, and others are available from earlier work on diatomic dissociation reactions. Comparison of the results from this primitive approach with those of existing theories of unimolecular reactions suggests some reinterpretation of parameters used in those theories: most interestingly, the number of effective oscillators occurring in Kassel theory (or its Slater-theory equivalent) appears to be the ratio, at infinite pressure, of the total rate to the rate of the only reaction channel which survives at the low-pressure limit.

scholarly journals On the Modular Operator of Mutli-component Regions in Chiral CFT

2021 ◽  
Author(s):  
Stefan Hollands
Keyword(s):  
Field Theory ◽  
Integral Equation ◽  
Hilbert Problem ◽  
Matrix Elements ◽  
New Approach ◽  
Conformal Field ◽  
The Matrix ◽  
Kms Condition ◽  
Modular Operator ◽  
Riemann Hilbert Problem

AbstractWe introduce a new approach to find the Tomita–Takesaki modular flow for multi-component regions in general chiral conformal field theory. Our method is based on locality and analyticity of primary fields as well as the so-called Kubo–Martin–Schwinger (KMS) condition. These features can be used to transform the problem to a Riemann–Hilbert problem on a covering of the complex plane cut along the regions, which is equivalent to an integral equation for the matrix elements of the modular Hamiltonian. Examples are considered.

scholarly journals Analytical angular solutions for the atom–diatom interaction potential in a basis set of products of two spherical harmonics: two approaches

2021 ◽  
Author(s):  
Mariusz Pawlak ◽  
Marcin Stachowiak
Keyword(s):  
Spherical Harmonics ◽  
Interaction Potential ◽  
Chem Phys ◽  
Basis Set ◽  
Matrix Elements ◽  
Trigonometric Functions ◽  
Variational Theory ◽  
Molecular Collision ◽  
The Matrix ◽  
Analytical Expressions

AbstractWe present general analytical expressions for the matrix elements of the atom–diatom interaction potential, expanded in terms of Legendre polynomials, in a basis set of products of two spherical harmonics, especially significant to the recently developed adiabatic variational theory for cold molecular collision experiments [J. Chem. Phys. 143, 074114 (2015); J. Phys. Chem. A 121, 2194 (2017)]. We used two approaches in our studies. The first involves the evaluation of the integral containing trigonometric functions with arbitrary powers. The second approach is based on the theorem of addition of spherical harmonics.

Notizen: The Dipole Moment Function of HF Molecule Using Morse Potential

1977 ◽  
Vol 32 (8) ◽  
pp. 897-898 ◽  
Author(s):  
Y. K. Chan ◽  
B. S. Rao
Keyword(s):  
Wave Equation ◽  
Dipole Moment ◽  
Potential Function ◽  
Electric Dipole ◽  
Morse Potential ◽  
Moment Function ◽  
Matrix Elements ◽  
The Matrix ◽  
Vibration Rotation ◽  
Experimental Values

Abstract The radial Schrödinger wave equation with Morse potential function is solved for HF molecule. The resulting vibration-rotation eigenfunctions are then used to compute the matrix elements of (r - re)n. These are combined with the experimental values of the electric dipole matrix elements to calculate the dipole moment coefficients, M 1 and M 2.

Leach Behavior of SRL TDS-131 Defense Waste Glass in Water at High&Low Flow Rates

1983 ◽  
Vol 26 ◽  
Author(s):  
Aaron Barkatt ◽  
William Sousanpour ◽  
Alisa Barkatt ◽  
Morad A. Boroomand ◽  
Pedro B. Macedo
Keyword(s):  
Contact Time ◽  
Protective Layer ◽  
High Flow ◽  
Low Flow ◽  
Matrix Elements ◽  
Flow Rates ◽  
Low Concentrations ◽  
Controlling Mechanism ◽  
The Matrix ◽  
Leach Behavior

ABSTRACTLeach tests carried out on SRL TDS-131 Defense Waste Class indicate that at high flow rates the controlling mechanism is simple corrosion. The matrix elements (Si, Al) are leached out at rates similar to those of the leaching of the alkalis and of boron, and the leaching process is nearly linear with time. At slow flow rates (below 1 m/yr) leaching becomes controlled by the build-up of a protective layer. Al and most of the Si remain in the leached surface layer. The leach rates decrease in the course of the test before leveling off at constant values which are almost inversely proportional to the contact time, indicating that leachate concentrations have become solubility-limited. The low concentrations observed at this stage indicate the formation of alteration products.

scholarly journals Worldline master formulas for the dressed electron propagator. Part 2. On-shell amplitudes

2022 ◽  
Vol 2022 (1) ◽  
Author(s):  
N. Ahmadiniaz ◽  
V. M. Banda Guzmán ◽  
F. Bastianelli ◽  
O. Corradini ◽  
J. P. Edwards ◽  
...  
Keyword(s):  
Cross Sections ◽  
Drop Out ◽  
Matrix Elements ◽  
Fermion Propagator ◽  
Particle Path ◽  
Path Integral Representation ◽  
Fermion Line ◽  
Electron Propagator ◽  
The Matrix ◽  
Standard Linear

Abstract In the first part of this series, we employed the second-order formalism and the “symbol” map to construct a particle path-integral representation of the electron propagator in a background electromagnetic field, suitable for open fermion-line calculations. Its main advantages are the avoidance of long products of Dirac matrices, and its ability to unify whole sets of Feynman diagrams related by permutation of photon legs along the fermion lines. We obtained a Bern-Kosower type master formula for the fermion propagator, dressed with N photons, in terms of the “N-photon kernel,” where this kernel appears also in “subleading” terms involving only N − 1 of the N photons.In this sequel, we focus on the application of the formalism to the calculation of on-shell amplitudes and cross sections. Universal formulas are obtained for the fully polarised matrix elements of the fermion propagator dressed with an arbitrary number of photons, as well as for the corresponding spin-averaged cross sections. A major simplification of the on-shell case is that the subleading terms drop out, but we also pinpoint other, less obvious simplifications.We use integration by parts to achieve manifest transversality of these amplitudes at the integrand level and exploit this property using the spinor helicity technique. We give a simple proof of the vanishing of the matrix element for “all +” photon helicities in the massless case, and find a novel relation between the scalar and spinor spin-averaged cross sections in the massive case. Testing the formalism on the standard linear Compton scattering process, we find that it reproduces the known results with remarkable efficiency. Further applications and generalisations are pointed out.

scholarly journals Терагерцовая спектроскопия магнитоэлектрика HoAl-=SUB=-3-=/SUB=-(BO-=SUB=-3-=/SUB=-)-=SUB=-4-=/SUB=-

2022 ◽  
Vol 130 (1) ◽  
pp. 59
Author(s):  
А.М. Кузьменко ◽  
В.Ю. Иванов ◽  
А.Ю. Тихановский ◽  
А.Г. Пименов ◽  
А.М. Шуваев ◽  
...  
Keyword(s):  
Crystal Field ◽  
Excited States ◽  
Ground State ◽  
Theoretical Study ◽  
Low Frequency ◽  
Local Symmetry ◽  
Matrix Elements ◽  
The Matrix ◽  
Excitation Conditions ◽  
Ground Multiplet

Experimental and theoretical study of submillimeter (terahertz) spectroscopic and magnetic properties of the rare-earth aluminum borate HoAl3(BO3)4 were performed at temperatures 3–300 K. In the transmittance spectra a number of resonance lines were detected at frequencies 2–35 cm–1 for different radiation polarizations. These modes were identified as transitions between the lower levels of the ground multiplet of the Ho3+ ion split by the crystal field, including both transitions from the ground state to the excited ones and transitions between the excited states. The established excitation conditions of the observed modes and the simulation of the spectra made it possible to separate the magnetic and electric dipole transitions and to determine the energies of the corresponding states, their symmetry, and the matrix elements of the transitions. Low-frequency lines that do not fit into the established picture of the electron states of Ho3+ were also found; these lines, apparently, correspond to the ions with the distorted by defects local symmetry of the crystal field.

Efficient computation of one-electron two-centre exchange integrals in ion–atom collisions

1976 ◽  
Vol 54 (9) ◽  
pp. 944-949 ◽  
Author(s):  
Alfred Msezane
Keyword(s):  
Principal Quantum Number ◽  
Computing Time ◽  
Translational Motion ◽  
Matrix Elements ◽  
Efficient Computation ◽  
Close Coupling ◽  
One Dimensional ◽  
State Approximation ◽  
The Matrix ◽  
Exchange Matrix

A scheme is presented for the reduction to one-dimensional integrals of any one-electron two-centre exchange matrix elements which incorporate the momentum associated with the translational motion of the electron. These elements are of the types occurring in close coupling-based treatments of ion–atom collisions. It is shown in a six state approximation, by coupling both eigenstates and pseudostates for the asymmetric He2+–H collision process, that computing time for the evaluation of the matrix elements is determined mainly by the number of different exponents in the matrix elements. The coupling of additional states with the same principal quantum number as the already coupled ones alters computing time insignificantly.

Sign in / Sign up

Export Citation Format

Share Document