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Mobility of the fermi hole in a single‐determinant wavefunction
Author(s) -
Luken William L.,
Culberson John C.
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.560220828
Subject(s) - wave function , fermi gas , fermi gamma ray space telescope , fermi level , position (finance) , work (physics) , electron localization function , electron , work function , condensed matter physics , function (biology) , electrical resistivity and conductivity , characterization (materials science) , electronic structure , formaldehyde , chemistry , atomic physics , physics , materials science , quantum mechanics , nanotechnology , electrode , economics , biology , organic chemistry , finance , evolutionary biology
The dependence of a Fermi orbital on the position of the probe electron is examined and compared with the corresponding behavior in a uniform‐density free‐electron gas. The shape of the resulting function is demonstrated with contour maps for the water, ethane, and formaldehyde molecules. The results of this work may have useful application in the characterization of electronic localizability and electrical conductivity.