Critical analysis of the series expansion of the potential energy function of CO2
✍ Scribed by I. Jobard; A. Chédin
- Publisher
- Elsevier Science
- Year
- 1975
- Tongue
- English
- Weight
- 871 KB
- Volume
- 57
- Category
- Article
- ISSN
- 0022-2852
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📜 SIMILAR VOLUMES
By means of a purely quantum mechanical method, we construct an accurate potential energy function for the \(X^{\prime} \Sigma^{+}\)ground electronic state of \(\mathrm{CO}\) from a large set of experimental frequency data for vibration-rotational bands of several isotopic species. We use an analyti
The infrared spectrum of dinitrogen tetroxide, N204, has been measured in the region 200-650 cm-' at different resolutions and temperatures. Analysis of the sequence of weak bands near 540 cm-' involving a combination of the vg (NO, rocking) and vq (torsion) modes has been performed. As a result, th
It IS dcmonstratcd th.!t the ground-state atomic kinetic energy functlonal T[p] , wluxe p is the electron density, can bc computed to surprrsing accuracy from the truncated gradient cupanslon: T[p] = To[pJ + Tz [p] f Tq[pj, wrth To[p] = 1\_:(3n2)2'3 1~"~ dT. Tz[P] = +2 JW/J)~P-~ dr, and 'T,4 [p] giv