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Ab initio study of rovibronic energies of the CH2+molecular ion

✍ Scribed by V. G. Solomonik; A. Yu. Yachmenev

Book ID
110175709
Publisher
SP MAIK Nauka/Interperiodica
Year
2008
Tongue
English
Weight
222 KB
Volume
104
Category
Article
ISSN
0030-400X

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πŸ“œ SIMILAR VOLUMES

An ab Initio Calculation of the Rovibron
An ab Initio Calculation of the Rovibronic Energies of the Ch+2 Molecule
✍ P. Jensen; M. Brumm; W.P. Kraemer; P.R. Bunker πŸ“‚ Article πŸ“… 1995 πŸ› Elsevier Science 🌐 English βš– 557 KB

In a previous paper (W. P. Kraemer, P. Jensen, and P. R. Bunker, Can. J. Phys. 72, 871-878, 1994) we reported the results of an ab initio calculation of the vibronic (i.e., \(N=0\) ) energy levels of the \(\mathrm{CH}_{2}^{+}\)molecular ion in both the \(\dot{X}^{2} A_{1}\) and \(\tilde{A}^{2} B_{1}

An ab Initio Calculation of BHβˆ’2Rovibron
An ab Initio Calculation of BHβˆ’2Rovibronic Energies: A Very Small Singlet–Triplet Splitting
✍ J.-P. Gu; R.J. Buenker; G. Hirsch; Per Jensen; P.R. Bunker πŸ“‚ Article πŸ“… 1996 πŸ› Elsevier Science 🌐 English βš– 458 KB

For each of the X ˜3B 1 , a ˜1A 1 , and b ˜1B 1 electronic states of the BH 0 2 molecular ion we have calculated over 50 ab initio points on the potential energy surfaces using the MRD-CI method for all eight electrons. Analytical functions were fitted through the points for each state, and the func