The Liu‐Parr power series expansion of the Pauli kinetic energy functional with the incorporation of shell‐inducing traits: Atoms
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DOI: 10.1002/qua.25601
Abstract: An approximate expression for the Pauli kinetic energy functional T-p is advanced in terms of the Liu-Parr expansion [S. Liu, R.G. Parr, Phys. Rev. A1997, 55, 1792] which involves a power series of the one-electron… read more here.
Keywords: kinetic energy; expansion; energy; liu parr ... See more keywords