On application of the Morse potential for evaluating anharmonic vibrations of polyatomic molecules with XHn-complexes

2000 ◽  
Vol 45 (5) ◽  
pp. 201-204 ◽  
Author(s):  
G. V. Yukhnevich
Keyword(s):  
Morse Potential ◽  
Polyatomic Molecules ◽  
Anharmonic Vibrations

An internal coordinate model for molecular vibrations: the energy levels of H2O and H2S and related isotopic molecules

1978 ◽  
Vol 56 (16) ◽  
pp. 2167-2172 ◽  
Author(s):  
Jan Bron ◽  
R. Wallace
Keyword(s):  
Potential Function ◽  
Energy Levels ◽  
Vibrational Analysis ◽  
Polyatomic Molecules ◽  
Bending Vibration ◽  
Relative Simplicity ◽  
Anharmonic Vibrations ◽  
Vibrational Excitations ◽  
Coordinate Model ◽  
Good Agreement

Refinement of a previously described model for describing the anharmonic vibrations of polyatomic molecules is presented. The nonlinear molecules XY2 (H2O, D2O, H2S, D2S) are used as examples and it is shown that quite good agreement with the observed spectrum can be obtained for the first twenty vibrational excitations with a six parameter potential function. Apart from its relative simplicity, the main improvement over previously reported work is the inclusion of the bending vibration within the formalism and refinement of the form of potential. It is pointed out that the model is readily extendable to the vibrational analysis of larger molecules.

Parameters of the Morse Potential from Second Virial Coefficients of Gases

1987 ◽  
Vol 42 (5) ◽  
pp. 447-450 ◽  
Author(s):  
Akira Matsumoto
Keyword(s):  
Temperature Dependence ◽  
Morse Potential ◽  
Virial Coefficient ◽  
Second Virial Coefficient ◽  
Virial Coefficients ◽  
Polyatomic Molecules ◽  
Inert Gases ◽  
Second Virial Coefficients ◽  
Analytic Expression

An analytic expression for the second virial coefficient in case of the Morse potential is derived. The parameters of the Morse potential are determined for eighteen species comprising inert gases, diatomic and polyatomic molecules, and mixtures of gases using experimental second virial coefficients. The calculated second virial coefficients based on the obtained Morse potential agree well with the empirical second virial coefficients and their temperature dependence.

Anharmonic coherent states and E ε Jahn–Teller coupling

2002 ◽  
Vol 80 (5) ◽  
pp. 563-569 ◽  
Author(s):  
N M Avram ◽  
Gh. E Draganescu ◽  
C N Avram
Keyword(s):  
Coherent States ◽  
Morse Potential ◽  
Energy Levels ◽  
Anharmonic Vibrations ◽  
Jahn Teller

The octahedral Jahn–Teller system with E [Formula: see text] ε coupling is studied in the frame of the anharmonic vibrations described by a Morse potential using anharmonic coherent states. The energy levels have been established. PACS Nos.: 31.30Gs, 71.70Ej, 42.50Ar, 42.50Ct, 33.20Wr

Collective hyperspherical coordinates for polyatomic molecules and clusters

2000 ◽  
Vol 98 (21) ◽  
pp. 1763-1770 ◽  
Author(s):  
Vincenzo Aquilanti, Andrea Beddoni, Simonett
Keyword(s):  
Polyatomic Molecules ◽  
Hyperspherical Coordinates
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