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Ray Hefferlin, Jonathan Sackett and Jeremy Tatum Why do molecules echo atomic periodicity? International Journal of Quantum Chemistry 113

Version of Record online: 30 MAY 2013 | DOI: 10.1002/qua.24469

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A quantum mechanical understanding of molecular periodicity that has an atomic basis is highly desirable. This paper explores this question through specific studies of diatomic systems that successively approach the formation of a rare-gas molecule. The results indicate that molecules do indeed echo atomic periodicity, while basing this new understanding in more rigorous quantum mechanical terms. Open problems in obtaining a complete set of upper and ground state configurations of main-group diatomics remain.

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