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Holzwarth, N. A. W., Zeng, Y. (1994) Core-cancellation functions for evaluating exchange-correlation functionals in first-principles pseudopotential calculations. Physical Review B, 49 (4) 2351-2361 doi:10.1103/physrevb.49.2351

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Reference TypeJournal (article/letter/editorial)
TitleCore-cancellation functions for evaluating exchange-correlation functionals in first-principles pseudopotential calculations
JournalPhysical Review B
AuthorsHolzwarth, N. A. W.Author
Zeng, Y.Author
Year1994 (January 15)Volume49
Issue4
PublisherAmerican Physical Society (APS)
DOIdoi:10.1103/physrevb.49.2351Search in ResearchGate
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Mindat Ref. ID14123769Long-form Identifiermindat:1:5:14123769:7
GUID0
Full ReferenceHolzwarth, N. A. W., Zeng, Y. (1994) Core-cancellation functions for evaluating exchange-correlation functionals in first-principles pseudopotential calculations. Physical Review B, 49 (4) 2351-2361 doi:10.1103/physrevb.49.2351
Plain TextHolzwarth, N. A. W., Zeng, Y. (1994) Core-cancellation functions for evaluating exchange-correlation functionals in first-principles pseudopotential calculations. Physical Review B, 49 (4) 2351-2361 doi:10.1103/physrevb.49.2351
In(1994, January) Physical Review B Vol. 49 (4) American Physical Society (APS)

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Holzwarth, N. A. W., Zeng, Y. (1994) Erratum: Core-cancellation functions for evaluating exchange-correlation functions in first-principles pseudopotential calculations. Physical Review B, 50 (3) 2047 doi:10.1103/physrevb.50.2047.3
Holzwarth, N. A. W., Matthews, G. E., Dunning, R. B., Tackett, A. R., Zeng, Y. (1997) Comparison of the projector augmented-wave, pseudopotential, and linearized augmented-plane-wave formalisms for density-functional calculations of solids. Physical Review B, 55 (4) 2005-2017 doi:10.1103/physrevb.55.2005
Xu, Xiao, Holzwarth, N A. W. (2011) Adaptation of the projector-augmented-wave formalism to the treatment of orbital-dependent exchange-correlation functionals. Physical Review B, 84 (15) doi:10.1103/physrevb.84.155113
King, Walter F., Cutler, Paul H. (1973) Influence of Conduction-Band—Core Electron Exchange and Correlation on Pseudopotential Calculations. Physical Review B, 8 (4) 1303-1307 doi:10.1103/physrevb.8.1303
Ow, King N., Wang, X. W. (1996) First-principles pseudopotential calculations of passivated GaAs(001) surfaces. Physical Review B, 54 (24) 17661-17666 doi:10.1103/physrevb.54.17661
Smargiassi, Enrico, Madden, Paul A. (1994) Orbital-free kinetic-energy functionals for first-principles molecular dynamics. Physical Review B, 49 (8) 5220-5226 doi:10.1103/physrevb.49.5220
Zeng, Z., Zheng, Q. Q., Lai, W. Y. (1994) First-principles calculation of magnetocrystalline anisotropy for rare-earth–iron ternary compounds. Physical Review B, 49 (10) 6741-6745 doi:10.1103/physrevb.49.6741
Holzwarth, N. A. W., Xu, Xiao (2011) Analysis of numerical methods for evaluating the Fock exchange integral in a plane-wave basis. Physical Review B, 84 (11) doi:10.1103/physrevb.84.113102
Du, Yaojun A., Holzwarth, N. A. W. (2007) Mechanisms ofLi+diffusion in crystallineγ- andβ−Li3PO4electrolytes from first principles. Physical Review B, 76 (17) doi:10.1103/physrevb.76.174302
King, Walter F., Cutler, Paul H. (1973) Erratum: Influence of Conduction-Band-Core Electron Exchange and Correlation on Pseudopotential Calculations. Physical Review B, 8 (12) 6043 doi:10.1103/physrevb.8.6043
Gardner, Jeffrey R., Holzwarth, N. A. W. (1986) Pseudopotential inversion scheme. Physical Review B, 33 (10) 7139-7143 doi:10.1103/physrevb.33.7139
 
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