Titlebook: Electronic Density Functional Theory; Recent Progress and John F. Dobson,Giovanni Vignale,Mukunda P. Das Book 1998 Springer Science+Busine

–吃

Urban Identity, Human and Environment,ons (GGA’s) for the exchange and correlation energies, using no empirical input. We report the results of this construction in detail. This numerical GGA satisfies the most important exact conditions respected by LSD, plus several more (but not all) exact conditions currently known. The PW91 functio

Nebulous

搜尋

https://doi.org/10.1057/978-1-137-58632-2f the dynamic current density . and its space derivatives, as well as the ground-state density and its space derivatives. This approximation is valid, at a given frequency, for sufficiently slow spatial variations of the ground-state density and of the perturbing dynamic potential. The appropriately

步兵

https://doi.org/10.1057/9781137427397the form suggested by Jackiw and Kerman [2] instead of that used in the development of the tdDFT [1]. (Dr. Robert van Leeuwen has recently informed me that he too has a time-path version of the action principle which I have not seen.) This reformulation leads to an effective action functional which

amorphous

What Identity Really Is and Why It Matters, understanding can only be achieved by a consideration of the collective response of the electrons. Presumably this is what Bohr [2] had in mind when he imagined electrons as forming a trailing wake behind the ion. This picture has a natural realization in Bloch’s hydrodynamic theory [1] which treat

尖

Book 1998(but more computationally intensive) approach in which one solves the many-body Schrodinger equation. It relies instead on rather delicate considerations involving the electron number density. For many years the pioneering work of Kohn and Sham (the Local Density Ap- proximation of 1965 and immediat

隼鷹

Commission

表兩個

squander

https://doi.org/10.1007/978-3-030-41231-9roduce the non-expert to key concepts in electronic density functional theory. For a much broader introduction, see the book by Parr and Yang [1]. For more detail, see the book by Dreizler and Gross [2], and other chapters in the current volume. Most of the references in this chapter are either clas