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Gradient Correction to Local Exchange and Correlation Energy

in Orbital Theories of Molecules and Solids , Clarendon Press, Oxford, 1974, p. 95. [Pg.132]

Should it prove possible, in the future, to solve the Euler equation (146) to full chemical accuracy, the values of p for isolated atoms, and the single value of p for the molecule built up from these atoms, will be of great interest. It is clear from the way that p was introduced in the density theory [see especially equation (23)] that one could contemplate estimating it in an atomic ion from [Pg.133]

in Electrons in Finite and Infinite Structures , ed. P. Phariseau and L. Scheire, Plenum, New York, 1977, p. 236. [Pg.133]

Hedin and S. Lundqvist, in Solid State Physics , ed. F. Seitz, D. Turnbull, and H. Ehrenreich, Academic Press, New York, 1969, Vol. 23, p. 1. [Pg.133]


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Correlation correction

Correlation energy

Energy corrections

Energy exchanger

Energy exchanging

Energy gradient

Energy local

Exchange Correlation energy

Exchange and correlation

Exchange and correlation energy

Exchange correlation

Exchange energy

Exchange gradient

Gradient corrections

Gradient correlation

Gradient-corrected correlation

Local Correlation

Local exchange

Local gradient

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