Extending the random phase approximation with renormalized ...

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ALDA The rALDA kernel has been implemented in GPAW There is no general framework for PAW corrections of two-point functions. The implementation uses all-electron density for kernel The method improves absolute correlation energies significantly compared to RPA [T. Olsen and K. S. Thygesen, PRB 86 081103(R) (2012)] Numbers are in kcal/mol = 43 meV
Numbers are in kcal/mol = 43 meV rALDA - molecules [T. Olsen and K. S. Thygesen, in preparation]
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 and 14: Beyond RPA It should be possible to
Page 15 and 16: Homogeneous Electron Gas If we make
Page 17 and 18: ALDA The procedure can be generaliz
Page 19 and 20: Instead we take =[ rALDA f Hx Spin
Page 21: ALDA The rALDA kernel has been impl
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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