Title




Correlated and idempotent Dirac firstorder density matrices with identical diagonal Fermion density: a route to extract a onebody potential energy in TDDFT


Author






Abstract




After a brief introduction to the use of the idempotent Dirac firstorder density matrix (DM), its timedependent generalization is considered. Special attention is focused on the equation of motion for the timedependent DM, which is characterized by the onebody potential V(r, t) of timedependent density functional theory. It is then shown how the force ∇ V(r, t) can be extracted explicitly from this equation of motion. Following a linearresponse treatment in which a weak potential V(r, t) is switched on to an initially uniform electron gas, the nonlinear example of the twoelectron spincompensated Moshinsky atom is a further focal point. We demonstrate explicitly how the correlated DM for this model can be constructed from the idempotent Dirac DM, in this timedependent example. 


Language




English


Source (journal)




Journal of mathematical chemistry.  Basel


Publication




Basel
:
2010


ISSN




02599791


DOI




10.1007/S1091000995927


Volume/pages




47
:1
(2010)
, p. 505519


ISI




000273162000039


Full text (Publisher's DOI)





