Quantal density-functional theory of the density amplitude: Application to atoms

Density-gradient analysis for density fu

Density-gradient analysis for density functional theory: Application to atoms

✍ Aleš Zupan; John P. Perdew; Kieron Burke; Mauro Causà 📂 Article 📅 1997 🏛 John Wiley and Sons 🌐 English ⚖ 281 KB 👁 2 views

We present an analysis of local or semilocal density functionals for the Ž exchange᎐correlation energy by decomposing them into their gradients r local Seitz s . Ž . Ž . radius , relative spin polarization , and s reduced density gradient . We explain the numerical method pertaining to this kind of

Density-Functional Theory of Atoms and M

Density-Functional Theory of Atoms and Molecules

✍ Gey, E. 📂 Article 📅 1995 🏛 Oldenbourg Wissenschaftsverlag 🌐 German ⚖ 210 KB

Density-functional theory of atoms and m

Density-functional theory of atoms and molecules

✍ Robert G. Parr, Yang Weitao 📂 Library 📅 1994 🏛 Oxford University Press; Clarendon Press 🌐 English ⚖ 10 MB

This book is a rigorous, unified account of the fundamental principles of the density-functional theory of the electronic structure of matter and its applications to atoms and molecules. Containing a detailed discussion of the chemical potential and its derivatives, it provides an understanding of

Density-functional theory of atoms and m

Density-functional theory of atoms and molecules

✍ Robert G. Parr, Yang Weitao 📂 Library 📅 1994 🏛 Oxford University Press; Clarendon Press 🌐 English ⚖ 6 MB

This book is a rigorous, unified account of the fundamental principles of the density-functional theory of the electronic structure of matter and its applications to atoms and molecules. Containing a detailed discussion of the chemical potential and its derivatives, it provides an understanding of t

Application of density functional theory

Application of density functional theory to relativistic hydrodynamics

✍ O. Yu. Dinariev 📂 Article 📅 2007 🏛 Springer 🌐 English ⚖ 230 KB

Linear-response theory within the densit

Linear-response theory within the density-functional formalism: Application to atomic polarizabilities

✍ Stott, M. J.; Zaremba, E. 📂 Article 📅 1980 🏛 The American Physical Society 🌐 English ⚖ 881 KB