Method of calculating matrix elements and cross sections with wave functions with definite angular momentum

1976 ◽  
Vol 26 (1) ◽  
pp. 26-30 ◽  
Author(s):  
V. S. Polikanov
1975 ◽  
Vol 53 (5) ◽  
pp. 533-541 ◽  
Author(s):  
J-L. Féménias ◽  
C. Athénour

In order to present a general method of calculating wave functions, matrix elements, and intensity factors in molecular rotational problems, we deal here with a theory of reversed angular momentum (MI theory), i.e. momentum whose components obey commutation relations with an anomalous minus sign. This theory is built following the principal corresponding steps of the normal theory and a simple correspondence is established between both of them allowing us to perform calculations in the former and to give the results using the formalism of the latter.In particular we dwell here on the consistency of conventions and notations and on a rigorous presentation of spherical tensor operators in MI theory together with the choice of the optimal set of them leading to simplest calculations.


1989 ◽  
Vol 67 (5) ◽  
pp. 479-484 ◽  
Author(s):  
R. Sahu

The γ-rigid model has been used to study the energy levels and the electromagnetic properties of 180, 182, 184, 186W. In this model, the intrinsic wave functions are obtained using the pairing plus the quadrupole–quadrupole interaction Hamiltonian of Baranger and Kumar. Good angular momentum states are projected approximately from such a triaxially symmetric intrinsic wave function. This model assumes the nucleus to be γ rigid but soft in the β degrees of freedom. The asymmetry parameter γ for a given nucleus is extracted using the experimental energies of the first 2+ and second 2+ states within the framework of the Davydov–Filippov model. The symmetry parameter β for each J state is determined from the minimization of the projected energy. The calculated energy levels of the ground and the 7 band, the B(E2) values, the electromagnetic moments, the E2 and E4 matrix elements, and the B(E2) ratios agree quite well with experimental results.


2010 ◽  
Vol 09 (05) ◽  
pp. 935-943 ◽  
Author(s):  
PENG SONG ◽  
YONG-HUA ZHU ◽  
JIAN-YONG LIU ◽  
FENG-CAI MA

The stereodynamics of the title reaction on the ground electronic state X2A' potential energy surface (PES)1 has been studied using the quasiclassical trajectory (QCT) method. The commonly used polarization-dependent differential cross-sections (PDDCSs) of the product and the angular momentum alignment distribution, P(θr) and P(Φr), are generated in the center-of-mass frame using QCT method to gain insight of the alignment and orientation of the product molecules. Influence of collision energy on the stereodynamics is shown and discussed. The results reveal that the distribution of P(θr) and P(Φr) is sensitive to collision energy. The PDDCSs exhibit different collision energy dependency relationship at low and high collision energy ranges.


2018 ◽  
Vol 98 (4) ◽  
Author(s):  
C. S. Palshetkar ◽  
D. J. Hinde ◽  
M. Dasgupta ◽  
E. Williams ◽  
K. Ramachandran ◽  
...  

1995 ◽  
Vol 06 (01) ◽  
pp. 105-121
Author(s):  
MEISHAN ZHAO

This paper discusses the symmetry decoupling in quantum mechanical algebraic variational scattering calculations by the generalized Newton variational principle. Symmetry decoupling for collisions involving identical particles is briefly discussed. Detailed discussion is given to decoupling from evaluation of matrix elements with nonzero total angular momentum. Example numerical calculations are presented for BrH2 and DH2 systems to illustrate accuracy and efficiency.


The quantal theory of the continuous photo-electric absorption of radiation is briefly summarized, pàrticular attention being given to the alternative formulae available and to the accuracy to be expected in practical calculations. Detailed calculations are described for the photo-ionization cross-section of neon, a system for which it is understood that experimental data should be available in the near future. The calculation is made using Hartree-Fock wave functions and the two formulae of the dipole length and the dipole velocity. The corresponding cross-sections are found to be 5.8 and 4.4 x 10- 18 cm 2 . at the spectral head and to rise slowly with increasing frequency until a broad maximum is reached for an energy of the ejected electron of about 11 eV. A comparison is made with previous calculations on the elements from boron to neon ; the general trend of the results is discussed and improved estimates for boron and fluorine are given (10 x 10 -18 cm 2 . for boron and 4.3 x 10- 18 cm 2 . for fluorine at the spectral head).


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