Zobrazeno 1 - 2
of 2
pro vyhledávání: '"Tomasz Adam Wesołowski"'
Publikováno v:
The Journal of chemical physics. 157(6)
The accuracy of any observable derived from multi-scale simulations based on Frozen-Density Embedding Theory (FDET) is affected by two inseparable factors: (i) the approximation for the [Formula: see text] component of the FDET energy functional and
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::b6038b26cfa27704217267bd73334769
https://pubmed.ncbi.nlm.nih.gov/35963737
https://pubmed.ncbi.nlm.nih.gov/35963737
The accuracy of any observable derived from multi-scale simulations based on Frozen- Density Embedding Theory (FDET) is affected by two inseparable factors: i) the nad approximation for the E xcT [ρ A , ρ B ] term in the FDET expression for the tot
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::85fd96b2732b6eafacf2ed88abca11cc
https://doi.org/10.26434/chemrxiv-2022-107gw
https://doi.org/10.26434/chemrxiv-2022-107gw
