𝔖 Bobbio Scriptorium
✦   LIBER   ✦

An ab initio close-coupling calculation of the lower vibrational energies of the HF dimer

✍ Scribed by Mark D. Marshall; Per Jensen; P.R. Bunker

Publisher
Elsevier Science
Year
1991
Tongue
English
Weight
462 KB
Volume
176
Category
Article
ISSN
0009-2614

No coin nor oath required. For personal study only.

πŸ“œ SIMILAR VOLUMES

An Ab Initio Calculation of the Low-Freq
An Ab Initio Calculation of the Low-Frequency Vibrational Energies of the HCl Dimer
✍ P.C. Gomez; P.R. Bunker; A. Karpfen; H. Lischka πŸ“‚ Article πŸ“… 1994 πŸ› Elsevier Science 🌐 English βš– 354 KB

With the two \(\mathrm{HCl}\) bond lengths held fixed at the monomer vibrational ground state value ( \(r_{0}\) \(=1.284 \dot{\AA})\) we have calculated a four-dimensional ab initio potential energy surface of the \(\mathrm{HCl}\) dimer at 400 nuclear geometries covering energies within \(1000 \math

An ab lnitio Calculation of the Low Rota
An ab lnitio Calculation of the Low Rotation-Vibration Energies of the CO Dimer
✍ P.R. Bunker; P. Jensen; S.C. Althorpe; D.C. Clary πŸ“‚ Article πŸ“… 1993 πŸ› Elsevier Science 🌐 English βš– 532 KB

On the basis of a previously published ab initio potential surface for the \(\mathrm{CO}\) dimer [A. van der Pol. A. van der Avoird and P. E. S. Wormer. J. Chem. Phys. 92, 7498-7504 (1990): the potential assumes fixed \([O\) bondlengths] we have calculated the \(J<3\) rotation-vibration energies bel

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 the potentia
An ab initio calculation of the potential surface and rotationβ€”vibration energies of the silyl radical
✍ P.R. Bunker; G. Olbrich πŸ“‚ Article πŸ“… 1984 πŸ› Elsevier Science 🌐 English βš– 299 KB

WC have calculated 64 points on the ground electronic state potential energy surface of the silyl radical (SiHs) using the MRD CI technique. This potential surface gives an inversion barrier of 1951 cm-' and an equilibrium geometry of re = 1.480 A and ae(HSiH) = 1 1 1 .?. Using the non-rigid inverto