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Electronic extracule densities
Author(s) -
Thakkar Ajit J.,
Moore Nancy J.
Publication year - 2009
Publication title -
international journal of quantum chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.484
H-Index - 105
eISSN - 1097-461X
pISSN - 0020-7608
DOI - 10.1002/qua.560200842
Subject(s) - lithium (medication) , lithium hydride , atomic physics , beryllium , electron density , chemistry , hydrogen , molecule , electronic density , electronic structure , density functional theory , electron , computational chemistry , physics , ion , ionic bonding , nuclear physics , medicine , organic chemistry , endocrinology
The electronic extracule density is the probability density function for the centre of mass of an electron pair. The first calculations of the extracule density for atomic and molecular systems are reported. Extracule densities for the ground states of the helium, lithium, and beryllium atoms, and the hydrogen and lithium hydride molecules are displayed and analyzed.