{"product_id":"9789814436748","title":"Recent Progress In Orbital-free Density Functional Theory","description":"\u003cp\u003eThis is a comprehensive overview of state-of-the-art computational methods based on orbital-free formulation of density functional theory completed by the most recent developments concerning the exact properties, approximations, and interpretations of the relevant quantities in density functional theory.\u003c\/p\u003e\u003cp\u003eThe book is a compilation of contributions stemming from a series of workshops which had been taking place since 2002. It not only chronicles many of the latest developments but also summarises some of the more significant ones. The chapters are mainly reviews of sub-domains but also include original research.\u003c\/p\u003e\u003cb\u003eContents:\u003c\/b\u003e\u003cul\u003e\n\u003cli\u003e\n\u003cb\u003e\u003ci\u003ePart 1: Density Functional for the Kinetic Energy and Its Applications in Orbital-Free DFT Simulations:\u003c\/i\u003e\u003c\/b\u003e\u003cul\u003e\n\u003cli\u003eFrom the Hohenberg-Kohn Theory to the Kohn-Sham Equations \u003ci\u003e(Y A Wang \u0026amp; P Xiang)\u003c\/i\u003e\n\u003c\/li\u003e\n\u003cli\u003eAccurate Computation of the Non-Interacting Kinetic Energy from Electron Densities \u003ci\u003e(F A Bulat \u0026amp; W Yang)\u003c\/i\u003e\n\u003c\/li\u003e\n\u003cli\u003eThe Single-Particle Kinetic Energy of Many-Fermion Systems: Transcending the Thomas-Fermi plus Von Weizsäcker Method \u003ci\u003e(G G N Angilella \u0026amp; N H March)\u003c\/i\u003e\n\u003c\/li\u003e\n\u003cli\u003eAn Orbital Free \u003ci\u003eab initio\u003c\/i\u003e Method: Applications to Liquid Metals and Clusters \u003ci\u003e(A Aguado, D J González, L E González, J M López, S Núñez \u0026amp; M J Stott)\u003c\/i\u003e\n\u003c\/li\u003e\n\u003cli\u003eElectronic Structure Calculations at Macroscopic Scales Using Orbital-Free DFT \u003ci\u003e(B G Radhakrishnan \u0026amp; V Gavini)\u003c\/i\u003e\n\u003c\/li\u003e\n\u003cli\u003eProperties of Hot and Dense Matter by Orbital-Free Molecular Dynamics \u003ci\u003e(F Lambert, J Clérouin, J-F Danel, L Kazandjian \u0026amp; S Mazevet)\u003c\/i\u003e\n\u003c\/li\u003e\n\u003cli\u003eShell-Correction and Orbital-Free Density-Functional Methods for Finite Systems \u003ci\u003e(C Yannouleas \u0026amp; U Landman)\u003c\/i\u003e\n\u003c\/li\u003e\n\u003cli\u003eFinite Element Approximations in Orbital-Free Density Functional Theory \u003ci\u003e(H Chen \u0026amp; A Zhou)\u003c\/i\u003e\n\u003c\/li\u003e\n\u003c\/ul\u003e\n\u003c\/li\u003e\n\u003cli\u003e\n\u003cb\u003e\u003ci\u003ePart 2: The Functional for the Non-Additive Kinetic Energy and Its Applications in Numerical Simulations:\u003c\/i\u003e\u003c\/b\u003e\u003cul\u003e\n\u003cli\u003eNon-Additive Kinetic Energy and Potential in Analytically Solvable Systems and Their Approximated Counterparts \u003ci\u003e(T A Wesolowski \u0026amp; A Savin)\u003c\/i\u003e\n\u003c\/li\u003e\n\u003cli\u003eTowards the Description of Covalent Bonds in Subsystem Density-Functional Theory \u003ci\u003e(Ch R Jacob \u0026amp; L Visscher)\u003c\/i\u003e\n\u003c\/li\u003e\n\u003cli\u003eOrbital-Free Embedding Calculations of Electronic Spectra \u003ci\u003e(J Neugebauer)\u003c\/i\u003e\n\u003c\/li\u003e\n\u003cli\u003eOn the Principal Difference Between the Exact and Approximate Frozen-Density Embedding Theory \u003ci\u003e(O V Gritsenko)\u003c\/i\u003e\n\u003c\/li\u003e\n\u003c\/ul\u003e\n\u003c\/li\u003e\n\u003cli\u003e\n\u003cb\u003e\u003ci\u003ePart 3: Kinetic Energy Functional and Information Theory:\u003c\/i\u003e\u003c\/b\u003e\u003cul\u003e\n\u003cli\u003eAnalytic Approach and Monte Carlo Sampling for Electron Correlations \u003ci\u003e(L M Ghiringhelli \u0026amp; L Delle Site)\u003c\/i\u003e\n\u003c\/li\u003e\n\u003cli\u003eKinetic Energy and Fisher Information \u003ci\u003e(Á Nagy)\u003c\/i\u003e\n\u003c\/li\u003e\n\u003cli\u003eQuantum Fluctuations, Dequantization, Information Theory and Kinetic-Energy Functionals \u003ci\u003e(I P Hamilton, R A Mosna \u0026amp; L Delle Site)\u003c\/i\u003e\n\u003c\/li\u003e\n\u003c\/ul\u003e\n\u003c\/li\u003e\n\u003cli\u003e\n\u003cb\u003e\u003ci\u003ePart 4: Appendix:\u003c\/i\u003e\u003c\/b\u003e\u003cul\u003e\u003cli\u003eSemilocal Approximations for the Kinetic Energy \u003ci\u003e(F Tran \u0026amp; T A Wesolowski)\u003c\/i\u003e\n\u003c\/li\u003e\u003c\/ul\u003e\n\u003c\/li\u003e\n\u003c\/ul\u003e\u003cbr\u003e\u003cb\u003eReadership:\u003c\/b\u003e Graduate students, academics and researchers in computational chemistry. Atomic \u0026amp; molecular physicists, theoretical physicists, theoretical chemists, physical chemists and chemical physicists.\u003cbr\u003e","brand":"World Scientific Publishing Company, Incorporated","offers":[{"title":"Default Title","offer_id":47185219125488,"sku":"9789814436748","price":59.0,"currency_code":"USD","in_stock":true}],"thumbnail_url":"\/\/cdn.shopify.com\/s\/files\/1\/0737\/7593\/9824\/files\/9789814436748_p0.jpg?v=1763691334","url":"https:\/\/shop-qa.barnesandnoble.com\/products\/9789814436748","provider":"Barnes \u0026 Noble (DEV)","version":"1.0","type":"link"}