A theoretical study of C2S and C3S
| Autor: | D. J. Peeso, D.W. Ewing, T. T. Curtis |
|---|---|
| Rok vydání: | 1990 |
| Předmět: |
Electronic correlation
Chemistry Triatomic molecule Gaussian orbital General Physics and Astronomy Electronic structure Molecular physics Bond length Dipole Ab initio quantum chemistry methods Computational chemistry Mathematics::Metric Geometry Physics::Atomic Physics Rotational spectroscopy Physics::Chemical Physics Physical and Theoretical Chemistry |
| Zdroj: | Chemical Physics Letters. 166:307-310 |
| ISSN: | 0009-2614 |
| Popis: | Two molecules recently observed in interstellar space, C 2 S and C 3 S were studied by ab initio calculations. Bond lengths, rotational constants, stabilities, dipole moments, and vibrational frequencies were obtained from Hartree-Fock and many-body perturbation calculations. Electron correlation was included via second- and third-order many-body perturbation theory. |
| Databáze: | OpenAIRE |
| Externí odkaz: |
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