Spin-orbit concept of open-shell systems

Elena F. Sheka

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arXiv · 1511.05480

Spin-orbit concept of open-shell systems

Elena F. Sheka

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Abstract

The paper presents a first attempt to look at the peculiarities of open-shell systems from the viewpoint of spin-orbit coupling. Contrary to common opinion of a negligible role of the issue for light element molecules, presented in the paper evidences its governing role in such systems peculiarities on example of sp2 nanocarbons. A particular attention is given to the justification of the validity of UHF approach to exhibit the SOC peculiarities of open-shell systems.

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Elena F. Sheka. 2015-11-14. Spin-orbit concept of open-shell systems. https://arxiv.org/abs/1511.05480

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