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.

The Dipole Moment Function of H79Br Molecule

1972 ◽  
Vol 27 (11) ◽  
pp. 1563-1565 ◽  
Author(s):  
D. N. Urquhart ◽  
T. D. Clark ◽  
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 H79Br 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, M1 and M2 .

scholarly journals Dipole Moment Functions of HF and HI Molecules Using an Anharmonic Potential

1983 ◽  
Vol 38 (1) ◽  
pp. 16-19 ◽  
Author(s):  
Manfred H. Kluckner ◽  
B. Sesh Rao
Keyword(s):  
Wave Equation ◽  
Dipole Moment ◽  
Electric Dipole ◽  
Wave Functions ◽  
Matrix Elements ◽  
Least Squares Fit ◽  
Anharmonic Potential ◽  
The Matrix ◽  
Moment Functions ◽  
Vibration Rotation

Abstract Vibration-rotation wave functions for HF and HI are computed by solving the radial Schroedinger wave equation numerically using an anharmonic potential function with seven adjustable parameters. With these wave functions the matrix elements of [(r - re)/re]n are computed. These are then applied in a least squares fit to experimentally measured values of the electric dipole matrix elements to yield the dipole moment coefficients M0, M1,..., M5 .

Développement complet du moment dipolaire des molécules tétraédriques. Application aux bandes triplement dégénérées et à la diade ν2 et ν4

1983 ◽  
Vol 61 (8) ◽  
pp. 1242-1259 ◽  
Author(s):  
M. Loete
Keyword(s):  
Dipole Moment ◽  
Simultaneous Analysis ◽  
Coupling Scheme ◽  
Contact Transformation ◽  
Order Of Approximation ◽  
Matrix Elements ◽  
Transformation Technique ◽  
The Matrix ◽  
Formal Expansion ◽  
Vibration Rotation

Using a coupling scheme in the Td group, we determine all the vibration–rotation operators of the dipole moment of XY4 molecules up to any order of approximation. We give the matrix elements for these operators and general formulas for the calculation of the infrared transition intensities. This general formalism is available for any transition between vibrational sublevels of any symmetry. It can be used for the analysis of isolated bands and for the simultaneous analysis of interacting bands as well. We show that this method can be applied to the calculation of Raman intensities and to XY6 molecules.In some cases, it is possible to carry out a tensorial extension from the Td group to the O(3) group. We have constructed the operators of the dipole moment adapted to this process using a coupling scheme in O(3). In particular, we give the matrix elements for a triply degenerate band.We use the contact transformation technique to explain the parameters introduced in the formal expansion of the dipole moment. We define the contact transformation operators in a tensorial form. We apply this method in the case of the two interacting bands ν2 and ν4.

scholarly journals A New Generalized Morse Potential Function for Calculating Cohesive Energy of Nanoparticles

Energies ◽  
2020 ◽  
Vol 13 (13) ◽  
pp. 3323 ◽  
Author(s):  
Omar M. Aldossary ◽  
Anwar Al Rsheed
Keyword(s):  
Potential Function ◽  
Cohesive Energy ◽  
Morse Potential ◽  
Attractive Force ◽  
Repulsive Interaction ◽  
Additional Parameter ◽  
Generalized Potential ◽  
The Stability ◽  
Experimental Values ◽  
Generalized Morse Potential

A new generalized Morse potential function with an additional parameter m is proposed to calculate the cohesive energy of nanoparticles. The calculations showed that a generalized Morse potential function using different values for the m and α parameters can be used to predict experimental values for the cohesive energy of nanoparticles. Moreover, the enlargement of the attractive force in the generalized potential function plays an important role in describing the stability of the nanoparticles rather than the softening of the repulsive interaction in the cases when m > 1.

scholarly journals Neutron Electric Dipole Moment on the Lattice

2018 ◽  
Vol 175 ◽  
pp. 01014 ◽  
Author(s):  
Boram Yoon ◽  
Tanmoy Bhattacharya ◽  
Rajan Gupta
Keyword(s):  
Dipole Moment ◽  
Cp Violation ◽  
Lattice Qcd ◽  
Electric Dipole Moment ◽  
Electric Dipole ◽  
Beyond The Standard Model ◽  
Matrix Elements ◽  
The Standard Model ◽  
The Status ◽  
Good Probe

For the neutron to have an electric dipole moment (EDM), the theory of nature must have T, or equivalently CP, violation. Neutron EDM is a very good probe of novel CP violation in beyond the standard model physics. To leverage the connection between measured neutron EDM and novel mechanism of CP violation, one requires the calculation of matrix elements for CP violating operators, for which lattice QCD provides a first principle method. In this paper, we review the status of recent lattice QCD calculations of the contributions of the QCD Θ-term, the quark EDM term, and the quark chromo-EDM term to the neutron EDM.

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