4/7/2024 0 Comments Amsterdam density functionalThe foundational papers of DFT by Hohenberg and Kohn as well as Kohn and Sham do not seem to be affected by obliteration by incorporation as they appear as pronounced peaks in our RPYS analysis. The references to papers published in the 19th century mainly served the purpose of referring to long-known physical and chemical phenomena which were used to test if DFT approximations deliver correct results (e.g., Van der Waals interactions). The earliest cited reference we found was published in 1806. (iii) Finally, various very frequently employed DFT approximations, basis sets, and other techniques (e.g., implicit descriptions of solvents) constitute another group of seminal papers. (ii) Fundamental quantum-chemical papers from the time period 1900–1950 which predate DFT form another group of seminal papers. The RPYS analysis revealed three different groups of seminal papers which researchers in DFT have drawn from: (i) some long-known experimental studies from the 19th century about physical and chemical phenomena were referenced rather frequently in contemporary DFT publications. 114,138 publications with their 4,412,152 non-distinct cited references are analyzed. This bibliometric study aims at providing a comprehensive analysis of the history of density functional theory (DFT) from a perspective of chemistry by using reference publication year spectroscopy (RPYS).
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