Structure and stability of sodium-doped helium snowballs through DFT calculations
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DOI: 10.1007/s00214-020-2556-5
Abstract: The lowest energy structures and relative stabilities of pure and sodium-doped helium clusters Na + He n have been determined using DFT calculations. Firstly, a series of DFT functionals have been tested by the calculation… read more here.
Keywords: doped helium; sodium doped; dft calculations; energy ... See more keywords