FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W4200318405> ?p ?o ?g. }

• W4200318405 abstract "The absence of a reliable formulation of the kinetic energy density functional has hindered the development of orbital free density functional theory. Using the data-aided learning paradigm, we propose a simple prescription to accurately model the kinetic energy density of any system. Our method relies on a dictionary of functional forms for local and nonlocal contributions, which have been proposed in the literature, and the appropriate coefficients are calculated via a linear regression framework. To model the nonlocal contributions, we explore two new nonlocal functionals-a functional that captures fluctuations in electronic density and a functional that incorporates gradient information. Since the analytical functional forms of the kernels present in these nonlocal terms are not known from theory, we propose a basis function expansion to model these seemingly difficult nonlocal quantities. This allows us to easily reconstruct kernels for any system using only a few structures. The proposed method is able to learn kinetic energy densities and total kinetic energies of molecular and periodic systems, such as H2, LiH, LiF, and a one-dimensional chain of eight hydrogens using data from Kohn-Sham density functional theory calculations for only a few structures." @default.
• W4200318405 created "2021-12-31" @default.
• W4200318405 creator A5014272934 @default.
• W4200318405 creator A5033952903 @default.
• W4200318405 creator A5043352274 @default.
• W4200318405 creator A5052407431 @default.
• W4200318405 creator A5055448715 @default.
• W4200318405 creator A5064709946 @default.
• W4200318405 creator A5071612407 @default.
• W4200318405 creator A5082318215 @default.
• W4200318405 creator A5089008293 @default.
• W4200318405 date "2022-01-13" @default.
• W4200318405 modified "2023-09-25" @default.
• W4200318405 title "Accurate parameterization of the kinetic energy functional" @default.
• W4200318405 cites W1537843484 @default.
• W4200318405 cites W1695624946 @default.
• W4200318405 cites W1752517290 @default.
• W4200318405 cites W1967087132 @default.
• W4200318405 cites W1968046618 @default.
• W4200318405 cites W1968648081 @default.
• W4200318405 cites W1969666707 @default.
• W4200318405 cites W1972038892 @default.
• W4200318405 cites W1975791975 @default.
• W4200318405 cites W1977896720 @default.
• W4200318405 cites W1978215016 @default.
• W4200318405 cites W1982572565 @default.
• W4200318405 cites W1982983163 @default.
• W4200318405 cites W1984619722 @default.
• W4200318405 cites W1987166016 @default.
• W4200318405 cites W1988372591 @default.
• W4200318405 cites W1989335167 @default.
• W4200318405 cites W1990516659 @default.
• W4200318405 cites W1993899917 @default.
• W4200318405 cites W1996082548 @default.
• W4200318405 cites W1999689460 @default.
• W4200318405 cites W2007527519 @default.
• W4200318405 cites W2013183108 @default.
• W4200318405 cites W2014880496 @default.
• W4200318405 cites W2018276631 @default.
• W4200318405 cites W2020786104 @default.
• W4200318405 cites W2029228724 @default.
• W4200318405 cites W2030976617 @default.
• W4200318405 cites W2037566781 @default.
• W4200318405 cites W2045462689 @default.
• W4200318405 cites W2057934749 @default.
• W4200318405 cites W2064364360 @default.
• W4200318405 cites W2068136577 @default.
• W4200318405 cites W2071852980 @default.
• W4200318405 cites W2077295152 @default.
• W4200318405 cites W2088370223 @default.
• W4200318405 cites W2090209682 @default.
• W4200318405 cites W2094045530 @default.
• W4200318405 cites W2095394805 @default.
• W4200318405 cites W2099181092 @default.
• W4200318405 cites W2103496339 @default.
• W4200318405 cites W2113442785 @default.
• W4200318405 cites W2137983211 @default.
• W4200318405 cites W2151220474 @default.
• W4200318405 cites W2156423571 @default.
• W4200318405 cites W2162574934 @default.
• W4200318405 cites W2166116275 @default.
• W4200318405 cites W2230728100 @default.
• W4200318405 cites W2346859190 @default.
• W4200318405 cites W2519744985 @default.
• W4200318405 cites W2573798107 @default.
• W4200318405 cites W2725535117 @default.
• W4200318405 cites W2754984782 @default.
• W4200318405 cites W2790736812 @default.
• W4200318405 cites W2804451518 @default.
• W4200318405 cites W2808425139 @default.
• W4200318405 cites W2883151771 @default.
• W4200318405 cites W2906112559 @default.
• W4200318405 cites W2939153492 @default.
• W4200318405 cites W2940346397 @default.
• W4200318405 cites W2946547583 @default.
• W4200318405 cites W2971363634 @default.
• W4200318405 cites W2979795026 @default.
• W4200318405 cites W2981906852 @default.
• W4200318405 cites W3003409172 @default.
• W4200318405 cites W3027032488 @default.
• W4200318405 cites W3048497553 @default.
• W4200318405 cites W3068185939 @default.
• W4200318405 cites W3098463108 @default.
• W4200318405 cites W3101894771 @default.
• W4200318405 cites W3125934166 @default.
• W4200318405 cites W3133068160 @default.
• W4200318405 cites W4234536965 @default.
• W4200318405 cites W4254050667 @default.
• W4200318405 cites W604542437 @default.
• W4200318405 doi "https://doi.org/10.1063/5.0063629" @default.
• W4200318405 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/35032986" @default.
• W4200318405 hasPublicationYear "2022" @default.
• W4200318405 type Work @default.
• W4200318405 citedByCount "4" @default.
• W4200318405 countsByYear W42003184052022 @default.
• W4200318405 countsByYear W42003184052023 @default.
• W4200318405 crossrefType "journal-article" @default.
• W4200318405 hasAuthorship W4200318405A5014272934 @default.
• W4200318405 hasAuthorship W4200318405A5033952903 @default.
• W4200318405 hasAuthorship W4200318405A5043352274 @default.

• next