Extending the random phase approximation with renormalized ...

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Homogeneous Electron Gas To see why ALDA fails one can look at the Fourier transform of the correlation hole for the homogeneous electron gas [M. Lein, E. K. U. Gross and J. P. Perdew, PRB 61 13431 (2000)] r s = 1 r s = 10 ALDA is not an exact approximation for the HEG! The locality implies slow decay at large q = trouble [F. Furche and T. van Voorhis, JCP 122 164106 (2005)]
Homogeneous Electron Gas If we make a cutoff at q=2k F equivalent to the truncated kernel The correlation energy becomes accurate over a wide range of densities
Page 1 and 2: Beyond the Random Phase Approximati
Page 3 and 4: Correlation energy from ACDFT The e
Page 5 and 6: Correlation energy from ACDFT The e
Page 7 and 8: RPA Correlation energy RPA gives an
Page 9 and 10: Cohesive energies of solids PBE: ME
Page 11 and 12: Pros and cons in RPA The RPA correl
Page 13: Beyond RPA It should be possible to
Page 17 and 18: ALDA The procedure can be generaliz
Page 19 and 20: Instead we take =[ rALDA f Hx Spin
Page 21 and 22: ALDA The rALDA kernel has been impl
Page 23 and 24: Numbers are in kcal/mol = 43 meV rA
Page 25 and 26: ALDA - solids The two-point density
Page 27 and 28: ALDA - Static Correlation Dissociat
Page 29: Summary and Outlook Compared to RPA

Extending the random phase approximation with renormalized ...

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