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Acta Physica Sinica
Article . 2013 . Peer-reviewed
Data sources: Crossref
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Acta Physica Sinica
Article
License: CC BY
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Spectroscopic properties and molecular constants of the ground and excited states of SF molecule

Authors: null Zhu Zun-Lüe; null Lang Jian-Hua; null Qiao Hao;

Spectroscopic properties and molecular constants of the ground and excited states of SF molecule

Abstract

The potential energy curves (PEC) for the ground state (X2∏) and three excited states (4∑-, 2∑-, 2Δ) of SF molecule are computed using the multireference configuration interaction method and the basis sets aug-cc-pV6Z where the Davidson correction is considered as an approximation to full CI. The separation parameters (Re, ωe, ωeχe, D0, De, Be and αe) are evaluated using the PEC of SF. The spectroscopic parameters are compared with those reported in the literature, and excellent agreement is found between them. With the PEC of SF, some vibrational states of SF are predicted when J=0 by numerically solving the radical Schrödinger equation of nuclear motion. For each vibrational state, the vibrational levels and inertial rotation constants are reported.

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Powered by OpenAIRE graph
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selected citations
These citations are derived from selected sources.
This is an alternative to the "Influence" indicator, which also reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Citations provided by BIP!
popularity
This indicator reflects the "current" impact/attention (the "hype") of an article in the research community at large, based on the underlying citation network.
BIP!Popularity provided by BIP!
influence
This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Influence provided by BIP!
impulse
This indicator reflects the initial momentum of an article directly after its publication, based on the underlying citation network.
BIP!Impulse provided by BIP!
2
Average
Average
Average
gold