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10.1038/srep43482 http://scihub22266oqcxt.onion/10.1038/srep43482 C5335310!5335310!28256544     free     free     free Deprecated: Implicit conversion from float 209.6 to int loses precision in C:\Inetpub\vhosts\kidney.de\httpdocs\pget.php on line 534 Deprecated: Implicit conversion from float 209.6 to int loses precision in C:\Inetpub\vhosts\kidney.de\httpdocs\pget.php on line 534 Deprecated: Implicit conversion from float 209.6 to int loses precision in C:\Inetpub\vhosts\kidney.de\httpdocs\pget.php on line 534 Deprecated: Implicit conversion from float 209.6 to int loses precision in C:\Inetpub\vhosts\kidney.de\httpdocs\pget.php on line 534 Deprecated: Implicit conversion from float 209.6 to int loses precision in C:\Inetpub\vhosts\kidney.de\httpdocs\pget.php on line 534       Sci+Rep 2017 ; 7 (ä): ä Nephropedia Template TP {{tp|p=28256544|t=2017. Towards an accurate description of perovskite ferroelectrics: exchange and correlation effects |pdf=|usr=}}{{28256544}} gab.com Text Towards an accurate description of perovskite ferroelectrics: exchange and correlation effects JO: Sci Rep http://www.kidney.de/pget.php?&tw=1&pmid=28256544 #FOAvip Using the van der Waals density functional with C09 exchange (vdW-DF-C09), which has been applied to describing a wide range of dispersion-bound systems, we explore the physical properties of prototypical ABO3 bulk ferroelectric oxides. Surprisingly, vdW-DF-C09 provides a superior description of experimental values for lattice constants, polarization and bulk moduli, exhibiting similar accuracy to the modified Perdew-Burke-Erzenhoff functional which was designed specifically for bulk solids (PBEsol). The relative performance of vdW-DF-C09 is strongly linked to the form of the exchange enhancement factor which, like PBEsol, tends to behave like the gradient expansion approximation for small reduced gradients. These results suggest the general-purpose nature of the class of vdW-DF functionals, with particular consequences for predicting material functionality across dense and sparse matter regimes. Twit Text FOAVip Towards an accurate description of perovskite ferroelectrics: exchange and correlation effects ????Sci Rep http://www.kidney.de/pget.php?&tw=1&pmid=28256544 #FOAvip Twit Text # Free Paper on # # # # # LINK http://www.kidney.de/pget.php?&tw=1&pmid=28256544 #FOAvip English Wikipedia <ref>{{Cite pmid|28256544}}</ref> Towards an accurate description of perovskite ferroelectrics: exchange and correlation effects #MMPMID28256544 Yuk SF; Pitike KC; Nakhmanson SM; Eisenbach M; Li YW; Cooper VR Sci Rep 2017[]; 7 (ä): ä PMID28256544show ga Using the van der Waals density functional with C09 exchange (vdW-DF-C09), which has been applied to describing a wide range of dispersion-bound systems, we explore the physical properties of prototypical ABO3 bulk ferroelectric oxides. Surprisingly, vdW-DF-C09 provides a superior description of experimental values for lattice constants, polarization and bulk moduli, exhibiting similar accuracy to the modified Perdew-Burke-Erzenhoff functional which was designed specifically for bulk solids (PBEsol). The relative performance of vdW-DF-C09 is strongly linked to the form of the exchange enhancement factor which, like PBEsol, tends to behave like the gradient expansion approximation for small reduced gradients. These results suggest the general-purpose nature of the class of vdW-DF functionals, with particular consequences for predicting material functionality across dense and sparse matter regimes. äTowards an accurate description of perovskite ferroelectrics: exchange(epmc).pdf DeepDyve Pubget Overpricing