2 6 A ug 2 01 4 DFT : A Theory Full of Holes ? Aurora
نویسندگان
چکیده
This article is a rough, quirky overview of both the history and present state of the art of density functional theory. The field is so huge that no attempt to be comprehensive is made. We focus on the underlying exact theory, the origin of approximations, and the tension between empirical and non-empirical approaches. Many ideas are illustrated on the exchange energy and hole. Features unique to this article include how approximations can be systematically derived in a non-empirical fashion and a survey of warm dense matter.
منابع مشابه
- p h ] 2 6 A ug 2 01 4 DFT : A Theory Full of Holes ? Aurora
This article is a rough, quirky overview of both the history and present state of the art of density functional theory. The field is so huge that no attempt to be comprehensive is made. We focus on the underlying exact theory, the origin of approximations, and the tension between empirical and non-empirical approaches. Many ideas are illustrated on the exchange energy and hole. Features unique ...
متن کاملA new phase for the anisotropic N = 4 super Yang - Mills plasma
Black hole solutions of type IIB supergravity have been previously constructed that describe the N=4 supersymmetric Yang-Mills plasma with an anisotropic spatial deformation. The zero temperature limit of these black holes approach a Lifshitz-like scaling solution in the infrared. We show that these black holes become unstable at low temperature and we construct a new class of black hole soluti...
متن کاملar X iv : 1 00 6 . 37 94 v 3 [ he p - th ] 10 A ug 2 01 0 Holographic metals and the fractionalized Fermi liquid
We show that there is a close correspondence between the physical properties of holographic metals near charged black holes in anti-de Sitter (AdS) space, and the fractionalized Fermi liquid phase of the lattice Anderson model. The latter phase has a ‘small’ Fermi surface of conduction electrons, along with a spin liquid of local moments. This correspondence implies that certain mean-field gapl...
متن کاملAb initio and DFT studies on tautomerism of 5-methyl cytosine in gaseous phase
Ab initio and DFT methods have been used to study the seven tautomeric forms of 5-methylcytosine molecule.The related tautomer in gas phase have been studied at HF/6-31G, HF/6-31G* and B3LYP/6-31G* levels oftheory. The structures,enthalpies,entropies,Gibbs free energies,relative tautomerization energies of tautomersand tautomeric equilibrium constants were compared and analyzed along with full ...
متن کاملUniversal Grammar and Chaos/Complexity Theory: Where Do They Meet And Where Do They Cross?
Abstract The present study begins by sketching "Chaos/Complexity Theory" (C/CT) and its applica-tion to the nature of language and language acquisition. Then, the theory of "Universal Grammar" (UG) is explicated with an eye to C/CT. Firstly, it is revealed that CCT may or may not be allied with a theory of language acquisition that takes UG as the initial state of language acquisition for ...
متن کامل