TY  - BOOK
AU  - Tsuneda,Takao
ED  - SpringerLink (Online service)
TI  - Density Functional Theory in Quantum Chemistry
SN  - 9784431548256
AV  - QD450-801 
U1  - 541.2 23
PY  - 2014///
CY  - Tokyo
PB  - Springer Japan, Imprint: Springer
KW  - Chemistry
KW  - Chemistry, Physical and theoretical
KW  - Physics
KW  - Solid state physics
KW  - Theoretical and Computational Chemistry
KW  - Theoretical, Mathematical and Computational Physics
KW  - Solid State Physics
N1  - Quantum Chemistry -- Hartree-Fock method -- Electron correlation -- Kohn-Sham method -- Exchange-correlation functionals -- Corrections for functionals -- Orbital energy -- Appendix: Fundamental Conditions
N2  - In this book, density functional theory (DFT) is introduced within the overall context of quantum chemistry. DFT has become the most frequently used theory in quantum chemistry calculations. However, thus far, there has been no book on the fundamentals of DFT that uses the terminology and methodology of quantum chemistry, which is familiar to many chemists, including experimentalists. This book first reviews the basic concepts and historical background of quantum chemistry and then explains those of DFT, showing how the latter fits into the bigger picture. Recent interesting topics of DFT in chemistry are also targeted. In particular, the physical meanings of state-of-the-art exchange-correlation functionals and their corrections are described in detail. Owing to its unconventionality, this book is certain to be of great interest not only to chemists but also to solid state physicists
UR  - http://dx.doi.org/10.1007/978-4-431-54825-6
ER  -