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

โœ Scribed by Per Jensen; Mark D. Marshall; P.R. Bunker; A. Karpfen

Book ID
107735063
Publisher
Elsevier Science
Year
1991
Tongue
English
Weight
527 KB
Volume
180
Category
Article
ISSN
0009-2614

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๐Ÿ“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
โœ P.C. Gomez; P.R. Bunker; A. Karpfen; H. Lischka ๐Ÿ“‚ Article ๐Ÿ“… 1994 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 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 Initio Calculation of a Six-Dimens
An ab Initio Calculation of a Six-Dimensional Potential Surface for the HCl Dimer
โœ P.C. Gomez; P.R. Bunker ๐Ÿ“‚ Article ๐Ÿ“… 1994 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 318 KB

In an earlier paper (P. C. Gomez, P. R. Bunker. A. Karpfen, and H. Lischka, J. Mol. Spectrosc. 166, 44I-448, 1994) we calculated three-dimensional \(a b\) initio potential energy surfaces for the \(\mathrm{HCl}\) dimer at five different values of the dimer stretching coordinate \(R\) (the two \(\mat