Algorithm for solving the anharmonic vibratiqnal-rotational problem using curvilinear vibrational coordinates and the momentum representation for rotational wave functions

1988 ◽  
Vol 48 (1) ◽  
pp. 83-88 ◽  
Author(s):  
A. I. Pavlyuchko

1951 ◽  
Vol 83 (3) ◽  
pp. 667-668 ◽  
Author(s):  
E. Guth ◽  
C. J. Mullin




1984 ◽  
Vol 30 (3) ◽  
pp. 1537-1539 ◽  
Author(s):  
C. V. Sheth


2015 ◽  
Vol 2015 ◽  
pp. 1-7 ◽  
Author(s):  
Ezzat G. Bakhoum ◽  
Cristian Toma

This study presents an alternating coordinate-momentum representation for propagation and transition of associated wave function, based on Bopp operators and on a certain symbolic determinant corresponding to a set of two linear equations with null free terms. It is shown that this alternating representation can justify in a good manner the patterns created through reflection/refraction of waves on nonperfectly smooth interfaces and phase correspondence of diffracted beams without the need of supplementary support functions. Correlations with Lorentz transformation of wave functions by interaction with a certain material medium (the space-time origin of a wave-train being adjusted) are also presented, and supplementary aspects regarding the use of electromagnetic scalar and vector potentials for modelling evolution within this alternating representation are added.



1963 ◽  
Vol 19 (2) ◽  
pp. 99
Author(s):  
HAN WEN-SHU ◽  
SOU YOU-LIANG ◽  
YAN ING-CHOU


1993 ◽  
Vol 58 (1) ◽  
pp. 24-28 ◽  
Author(s):  
Ladislav Češpiva ◽  
Vlasta Bonačič-Koutecký ◽  
Jaroslav Koutecký ◽  
Per Jensen ◽  
Vojtěch Hrouda ◽  
...  

SCF, 6C-SCF, MP4 and valence-electron full CI calculations were performed in order to determine the potential surface of Na3+. A power series in the variables yi = 1 - exp (-a∆ri), where ∆ri are bond length displacements from equilibrium, has been fitted through the surface obtained and used in a variational rotation-vibration calculations with a basis set of products of Morse-oscillator eigenfunctions and symmetric top rotational wave functions. In contrast to H3+, Na3+ behaves as a very rigid molecule and does not exhibit any anomalous anharmonicity. With our best potential surface, MP4, the predicted E' and A1' fundamental frequencies are 105.1 and 146.7 cm-1, and the harmonic E' and A1' frequencies are 106.5 and 148.3 cm-1.



2018 ◽  
Vol 20 (5) ◽  
pp. 3303-3309 ◽  
Author(s):  
Kenta Mizuse ◽  
Nao Chizuwa ◽  
Dai Ikeda ◽  
Takashi Imajo ◽  
Yasuhiro Ohshima

Rotational eigenstates in electronically excited NO molecules have been visualized by a photoion spatial-slice imaging technique.





1990 ◽  
Vol 68 (4-5) ◽  
pp. 394-402 ◽  
Author(s):  
J. G. Muga ◽  
R. F. Snider

An analysis is made of the transition from the discrete to the continuous spectrum for a separable potential in one dimension. The role played by the length of the box and the convergence parameter, ε, in the different limiting operations is discussed. Relations are found between scattering and perturbation theory matrices and wave functions in momentum representation. In particular, the known expression relating the level shift to the phase shift is recovered. The scattering and Brillouin–Wigner perturbation wave functions are in general not simply related by a phase factor.





Sign in / Sign up

Export Citation Format

Share Document