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Checking the validity of the vorticity expansion approximation of the current‐density functional theory
Author(s) -
Higuchi Katsuhiko,
Miyasita Mitiyasu,
Higuchi Masahiko
Publication year - 2010
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.22654
Subject(s) - vorticity , connection (principal bundle) , adiabatic process , density functional theory , scaling , asymptotic expansion , physics , quantum mechanics , mathematics , quantum , current (fluid) , mathematical physics , mathematical analysis , vortex , geometry , thermodynamics
Four kinds of asymptotic bounds for the exchange‐correlation (XC) energy functional of the current‐density functional theory (CDFT) are derived by using both the coordinate scaling of electrons and the adiabatic connection. These asymptotic bounds are effectively used to check the validity of the approximate form of the exchange‐correlation energy functional of the CDFT. It is found that the vorticity expansion approximation (VEA) formula, which has recently been proposed by us, exactly satisfies all asymptotic bounds, though the local density approximation of the CDFT does not satisfy two of four asymptotic bounds. The validity of the VEA formula is thus confirmed successfully. © 2010 Wiley Periodicals, Inc. Int J Quantum Chem, 2010