The dipole moment function and vibrational transition intensities of OH

1989 ◽  
Vol 90 (10) ◽  
pp. 5455-5465 ◽  
Author(s):  
David D. Nelson ◽  
Aram Schiffman ◽  
David J. Nesbitt
Keyword(s):  
Dipole Moment ◽  
Moment Function ◽  
Vibrational Transition

Infrared Line and Band Strengths and Dipole Moment Function in HCl and DCl

1957 ◽  
Vol 26 (6) ◽  
pp. 1671-1677 ◽  
Author(s):  
William S. Benedict ◽  
Robert Herman ◽  
Gordon E. Moore ◽  
Shirleigh Silverman
Keyword(s):  
Dipole Moment ◽  
Moment Function

MCSCF calculation of the dipole moment function of CO

1981 ◽  
Vol 44 (1) ◽  
pp. 111-123 ◽  
Author(s):  
Hans-Joachim Werner
Keyword(s):  
Dipole Moment ◽  
Moment Function

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.

IR Spectra and dipole moment function of the H2S molecule in the gas and liquid phases

2013 ◽  
Vol 7 (6) ◽  
pp. 721-733 ◽  
Author(s):  
Sh. Sh. Nabiev ◽  
L. A. Palkina ◽  
V. I. Starikov
Keyword(s):  
Dipole Moment ◽  
Ir Spectra ◽  
Moment Function ◽  
Liquid Phases

Exact formula for the dipole moment of a one-electron diatomic molecule

1985 ◽  
Vol 401 (1821) ◽  
pp. 373-392 ◽  
Keyword(s):  
Dipole Moment ◽  
Electronic State ◽  
Diatomic Molecule ◽  
Recursion Relation ◽  
Energy Eigenvalue ◽  
Exact Formula ◽  
Electronic Energy ◽  
Moment Function ◽  
Expectation Values ◽  
Feynman Theorem

It is shown that the dipole moment function, μ ( R , Z a , Z b ), for an arbitrary bound electronic state of a one-electron diatomic molecule, with inter-nuclear distance R and atomic numbers Z a , Z b may be expressed exactly in terms of the separation eigenconstant C and the electronic energy eigenvalue W of the Schrödinger equation by means of the Hellmann-Feynman theorem and a new recursion relation. The formula is used to investigate the behaviour of μ in the vicinity of the united atom and when the nuclei are far apart. The generalization required to extend the relation to other expectation values is derived in an appendix.

Theoretical dipole moment function of the X1Σ+ state of HI

1977 ◽  
Vol 66 (1) ◽  
pp. 99-105 ◽  
Author(s):  
Steven R. Ungemach ◽  
Henry F. Schaefer ◽  
B. Liu
Keyword(s):  
Dipole Moment ◽  
Moment Function
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