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Linear Triplet SiC3 and SiC5: Results of Coupled Cluster Calculations

โœ Scribed by Botschwina, Peter; Oswald, Rainer


Book ID
121449572
Publisher
Oldenbourg Wissenschaftsverlag
Year
2001
Tongue
German
Weight
89 KB
Volume
215
Category
Article
ISSN
0942-9352

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๐Ÿ“œ SIMILAR VOLUMES


Complexes of an argon atom with linear c
โœ P. Botschwina; R. Oswald ๐Ÿ“‚ Article ๐Ÿ“… 2003 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 276 KB

Large-scale coupled cluster calculations have been carried out for complexes between an argon atom and four different linear cations (HCNH รพ , HC 3 NH รพ , HCCH รพ , and HC 4 H รพ ). The two former closed-shell species have hydrogen-bonded linear forms, with nitrogen acting as proton donor, as the ener

Complexes of an argon atom with the line
โœ P. Botschwina; R. Oswald ๐Ÿ“‚ Article ๐Ÿ“… 2003 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 347 KB

Large-scale coupled cluster calculations have been carried out for the complexes of an argon atom with the linear anions HCC ร€ and HC ร€ 4 . In both cases, almost T-shaped structures are energetically favoured. Their equilibrium dissociation energies (D e ) are predicted to be 501(5) and 507(5) cm ร€1

Application of a spin-adapted coupled-cl
โœ S.S.Z. Aadnan; S. Bhattacharyya; D. Mukherjee ๐Ÿ“‚ Article ๐Ÿ“… 1982 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 491 KB

A proccdurc IS rcstcd for duectly calcuhtmg ewuatton cncrg~ for spm-conservmg and spm-forlxddcn translnons usmg 3 spm-adapted coupled-cluster based hnear response theory The ewlted states are gencmted from the ground state through 3" evltatlon opcntor S, a combmatlon oivanous nh-np cwlt3tlons of spm