dc.contributor.author | Nazarov, V. U. | eng |
dc.contributor.author | Tokatly, I. V. | eng |
dc.contributor.author | Pittalis, S. | eng |
dc.contributor.author | Vignale, Giovanni, 1957- | eng |
dc.date.issued | 2010 | eng |
dc.description | URL:http://link.aps.org/doi/10.1103/PhysRevB.81.245101
DOI:10.1103/PhysRevB.81.245101 | eng |
dc.description.abstract | We express the high-frequency (antiadiabatic) limit of the exchange-correlation (xc) kernels of an inhomogeneous electron gas in terms of the following equilibrium properties: the ground-state density, the xc kinetic stress tensor, the pair-correlation function and the ground-state xc potential. Of these quantities, the first three are amenable to exact evaluation by quantum Monte Carlo methods while the last can be obtained from the inversion of the Kohn-Sham equation for the ground-state orbitals. The exact scalar kernel, in this limit, is found to be of very long range in space, at variance with the kernel that is used in the standard local density approximation. The antiadiabatic xc kernels will be useful in calculations of excitation energies by time-dependent density-functional theory in atoms, molecules, and solids, and provide a solid basis for interpolation between the low- and high-frequency limits of the xc kernels. | eng |
dc.description.sponsorship | This work was supported by DOE under Grant No. DEFG02-05ER46203 G.V., S.P. . G.V. gratefully acknowledges the hospitality of the ETSF in San Sebastian where this work
was initiated and the Institute for Solid State Physics of the University of Tokyo where it was completed. V.U.N. gratefully
acknowledges the hospitality of the University of Missouri-Columbia. I.V.T. acknowledges support by the Spanish MEC Grant No. FIS2007-65702-C02-01 , ACIPromociona Grant No. ACI2009-1036 , Grupos Consolidados UPV/EHU del Gobierno Vasco Grant No. IT-319-07 , and the European Union through e-I3 ETSF project Contract No. 211956 . | eng |
dc.identifier.citation | Phys. Rev. B 81, 245101 (2010) | eng |
dc.identifier.issn | 1098-0121 | eng |
dc.identifier.uri | http://hdl.handle.net/10355/7628 | eng |
dc.language | English | eng |
dc.publisher | American Physical Society | eng |
dc.relation.ispartofcollection | University of Missouri--Columbia. College of Arts and Sciences. Department of Physics and Astronomy. Physics and Astronomy publications | eng |
dc.subject | local density approximation | eng |
dc.subject | gradient and other corrections | eng |
dc.subject | time-dependent density functional theory | eng |
dc.subject | plasmas | eng |
dc.subject.lcsh | Density functionals | eng |
dc.subject.lcsh | Density | eng |
dc.subject.lcsh | Conjugate gradient methods | eng |
dc.subject.lcsh | Plasma (Ionized gases) | eng |
dc.title | Antiadiabatic limit of the exchange-correlation kernels of an inhomogeneous electron gas | eng |
dc.type | Article | eng |