Rushton, P. P. and Tozer, D. J. and Clark, S. J. (2002) 'Description of exchange and correlation in the strongly inhomogeneous electron gas using a nonlocal density functional.', Physical review B., 65 (19). p. 193106.
We present exchange-correlation energy densities exc , total energies Exc, and holes, calculated for strongly inhomogeneous electron gases using the nonlocal weighted density approximation. The results closely resemble variational Monte Carlo simulations performed recently @Phys. Rev. Lett. 87, 036401 ~2001!#, demonstrating the effectiveness of a nonlocal density functional description.
|Keywords:||Generalized gradient approximation, Correlation energy, Ground-state, Systems, Molecules, Formalism, Atoms.|
|Full text:||PDF - Published Version (222Kb)|
|Publisher Web site:||http://dx.doi.org/10.1103/PhysRevB.65.193106|
|Publisher statement:||© 2002 by The American Physical Society. All rights reserved.|
|Record Created:||28 Nov 2006|
|Last Modified:||15 Sep 2010 16:25|
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