Title of article :
Comment on: ‘Failure of time-dependent density functional methods for excitations in spatially separated systems’ by Wolfgang Hieringer and Andreas Görling
Author/Authors :
Dreuw، نويسنده , , Andreas and Head-Gordon، نويسنده , , Martin، نويسنده ,
Issue Information :
روزنامه با شماره پیاپی سال 2006
Pages :
3
From page :
231
To page :
233
Abstract :
Hieringer and Gِrling [W. Hieringer, A. Gِrling, Chem. Phys. Lett. 419 (2006) 557] have identified failures of time-dependent density functional theory (TDDFT) with standard spatially local functionals for symmetric systems with non-overlapping entities where zero net charge-transfer occurs. We clarify that this particular failure is a direct consequence of the general problem of charge-transfer nevertheless, in the special case of an exact degeneracy. The role of exact and accidental degeneracies in large systems treated by present-day TDDFT is briefly discussed.
Journal title :
Chemical Physics Letters
Serial Year :
2006
Journal title :
Chemical Physics Letters
Record number :
1919375
Link To Document :
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