The ab-initio calculation of molecular vibrational frequencies and force constants

Author:

Schutte C. J. H.

Publisher

Springer Berlin Heidelberg

Reference161 articles.

1. Bjerrum, N.: Nernst Festschrift, Halle, 1912.

2. Kratzer, A.: Z. Physik 3, 289 (1920).

3. See any (elementary) text on quantum mechanics, as well as: b) Dunham, J. L.: Phys. Rev. 41, 721 (1932), who discusses the Schrödinger rotatingvibrator for the first time, using the Wentzel-Brillouin-Kramers method; the internuclear potential V is developed in a power series about ξ=(r−r e )/r e =0. Dunham ascribes the fact that his treatment of the rotating-vibrator eight years after the formulation of quantum mechanics is the first paper in this field, to the success of Morse’s empirical function.

4. Morse, P. M.: Phys. Rev. 34, 57 (1929).

5. Nielsen, H. H.: The Vibration-rotation Energies of Molecules and their Spectra in the Infra-red. In: S. Flügge (Editor), Handbuch der Physik, Bd. XXXVII/1, Atome III-Moleküle I, p. 172–313. Berlin-Göttingen-Heidelberg: Springer 1959.

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