Journal Article10.1103/REVMODPHYS.29.664
Comparative Study of Potential Energy Functions for Diatomic Molecules
440
TL;DR: In Eq.
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Abstract: ' N Eq. (28), 0.11.87 should be replaced by +~ (0.1173). J ls In the third member of Eq. (32), 15/8 should be replaced by 15/32. On the top of page 8, 0.96 Nk/2S should be replaced by 0.96 (2NkS). In Eq. (97), a term —NzJS should be added to the right-hand sIde. In Eq. (120), 0.1187 should be replaced by 0.1173/(SI—S2) and 2JSIS2 should be replaced by 4JSIS2. Below Eq. (121), SIS2/S{SI—S2) should appear as twice this quantity, and (gIS&—g2S&)p should appear multiplied by a factor (q).
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Citations
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Estimation of Anharmonic Potential Constants. I. Linear XY2 Molecules
Kozo Kuchitsu,Yonezo Morino +1 more
TL;DR: In this article, a set of general expressions for a linear XY2 molecule was derived for relating the cubic and quartic potential constants (k) to the coefficients (f) of the potential function expanded in terms of the internal coordinates.
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Testing of Diatomic Potential‐Energy Functions by Numerical Methods
TL;DR: An accurate and efficient numerical method of solving the radial Schrodinger equation for a diatomic molecule has been employed in two tests relating to approximate potential functions as discussed by the authors, and quantitative estimates have been made of the errors in the approximate eigenvalue equation derived by Pekeris for the rotating Morse oscillator.
243
References
One‐Dimensional Model of the Hydrogen Bond
TL;DR: In this article, a one-dimensional model for hydrogen bonding is proposed based on the potential function V = D[1-exp(nΔr2/2r)] and the energy associated with both the weak and strong bonds of the configuration RO - H - - - OR2 is obtained through application of this function.
Dissociation Energy of N2
TL;DR: In this article, an attempt has been made to observe the thermal dissociation of N2 in order to choose between the two values, 7385 ev and 9765 ev, for the dissociation energy of N 2 at the highest available temperatures.
Zur Darstellung des Potentialverlaufs bei zweiatomigen Molekülen
TL;DR: Potentialansatze mit drei Konstanten erlauben die Wechselwirkung von Schwingung und Rotation zu beruckichtigen, d. h. die dritte Ableitung im Minimum den empirischen Werten anzupassen as discussed by the authors.