TY  - BOOK
AU  - Wesolowski,Tomasz A..
AU  - Wang,Yan Alexander
TI  - Recent progress in orbital-free density functional theory (Recent advances in computational chemistry, volume 6)
SN  - 9789814436724
PY  - 2013///
PB  - World Scientific Publishing Co. Pte. Ltd.
KW  - Chemistry
KW  - Computational Chemistry
N1  - Chapter, Lesson, Part; Part 1: Density Functional for the Kinetic Energy and Its Applications in Orbital-Free DFT Simulations; Chapter, Lesson, Part; Chapter 1: From the Hohenberg-Kohn Theory to the Kohn-Sham Equations; Chapter, Lesson, Part; Chapter 2: Accurate Computation of the Non-Interacting Kinetic Energy from Electron Densities; Chapter, Lesson, Part; Chapter 3: The Single-Particle Kinetic Energy of Many-Fermion Systems: Transcending the Thomas-Fermi plus Von Weizsäcker Method; Chapter, Lesson, Part; Chapter 4: An Orbital Free ab initio Method: Applications to Liquid Metals and Clusters; Chapter, Lesson, Part; Chapter 5: Electronic Structure Calculations at Macroscopic Scales using Orbital-Free DFT; Chapter, Lesson, Part; Chapter 6: Properties of Hot and Dense Matter by Orbital-Free Molecular Dynamics; Chapter, Lesson, Part; Chapter 7: Shell-Correction and Orbital-Free Density-Functional Methods for Finite Systems; Chapter, Lesson, Part; Chapter 8: Finite Element Approximations in Orbital-Free Density Functional Theory; Chapter, Lesson, Part; Part 2: The Functional for the Non-Additive Kinetic Energy and Its Applications in Numerical Simulations; Chapter, Lesson, Part; Chapter 9: Non-Additive Kinetic Energy and Potential in Analytically Solvable Systems and Their Approximated Counterparts; Chapter, Lesson, Part; Chapter 10: Towards the Description of Covalent Bonds in Subsystem Density-Functional Theory; Chapter, Lesson, Part; Chapter 11: Orbital-Free Embedding Calculations of Electronic Spectra; Chapter, Lesson, Part; Chapter 12: On the Principal Difference Between the Exact and Approximate Frozen-Density Embedding Theory; Chapter, Lesson, Part; Part 3: Kinetic Energy Functional and Information Theory; Chapter, Lesson, Part; Chapter 13: Analytic Approach and Monte Carlo Sampling for Electron Correlations; Chapter, Lesson, Part; Chapter 14: Kinetic Energy and Fisher Information; Chapter, Lesson, Part; Chapter 15: Quantum Fluctuations, Dequantization, Information Theory and Kinetic-Energy Functionals; Chapter, Lesson, Part; Part 4: Appendix; Chapter, Lesson, Part; Chapter 16: Semilocal Approximations for the Kinetic Energy; Cover, Title,Recent progress in orbital-free density functional theory (Recent advances in computational chemistry, volume 6)--Preface, Introduction, TOC,Preface--Preface, Introduction, TOC,Contents--References, Appendix, Index,Author Index--References, Appendix, Index,Subject Index
UR  - http://portal.igpublish.com/iglibrary/search/WSPCB0003099.html
ER  -