Wolfram Koch

Max C. Holthausen

"Akatswiri odziwa zamakanika odziwika bwino a quantum mechanics adzayamika ndikupindula kwambiri ndi chidziwitso chophunzitsidwa bwino, chokwanira komanso cholembedwa momveka bwino cha chiphunzitso cha kachulukidwe kantchito: maziko ake, malingaliro, mawu, kukhazikitsa, ndi magwiridwe antchito osiyanasiyana. Ogwiritsa ntchito DFT pamapangidwe, mphamvu, ndi mawerengedwe a katundu wa mamolekyu, komanso kafukufuku wa kachitidwe ka zinthu, amatsogozedwa ku zisankho zabwino kwambiri za njira zabwino kwambiri. Paul von Ragué Schleyer "Bowo lodziwika bwino mu laibulale ya akatswiri a zamankhwala ladzadzidwa bwino ndi bukhuli, lomwe limapereka malingaliro osiyanasiyana komanso owoneka bwino pankhaniyi.[...Liyenera kukhala mawu okondedwa kwambiri pankhaniyi. omwe akufuna kugwiritsa ntchito DFT kuthetsa mavuto amankhwala." J. F. Stanton, J. Am. Chemu. Soc. "Cholinga cha olembawo ndi kutsogolera katswiri wa zamankhwala kuzinthu zoyambira zaukadaulo ndi zofananira za DFT pamlingo wosavuta kumva wanthanthi. Amachita bwino kwambiri." P. C. H. Mitchell, Appl. Organomet. Chemu. "Olembawo achita ntchito yabwino kwambiri ku gulu la mankhwala. [...] Buku la Chemist Guide to Density Functional Theory ndilofanana ndi mutuwu. Ziyenera kukhala gwero lamtengo wapatali la chidziwitso ndi chidziwitso kwa akatswiri ambiri a zamankhwala omwe amagwiritsa ntchito njira za DFT kuthetsa. mavuto a chemical." M. Kaupp, Angew. Chemu.

A Chemist's Guide to Density Functional Theory