Abstract
Helium is getting rare resource to support recent advanced industry. The electronic structure of helium is introduced, in comparison with hydrogen. In helium dimer, it has been recognized that helium atoms are weakly bound through interatomic interaction, due to zero bond order. In coupled cluster calculation for helium dimer, there is orbital overlap between helium 1s orbitals. One helium lobe interacts with one helium lobe. From chemical bonding rule, it is found that σ-type covalent bonding is formed. Bond order cannot determine whether diatomic molecule is dispersed or not. In He–H system, three formal charges of hydrogen are considered. In He–H+, covalent bonding is formed between helium 1s and hydrogen 1s orbitals. It implies that one electron is shared by helium and hydrogen. However, in He–H and He–H−, no orbital overlap is observed between helium and hydrogen.
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Onishi, T. (2018). Helium Chemistry. In: Quantum Computational Chemistry. Springer, Singapore. https://doi.org/10.1007/978-981-10-5933-9_15
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DOI: https://doi.org/10.1007/978-981-10-5933-9_15
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