TY  - BOOK
AU  - Kohanoff,Jorge José
TI  - Electronic structure calculations for solids and molecules: theory and computational methods 
T2  - Condensed matter physics, nanoscience and mesoscopic physics
SN  - 9780511648311
AV  - QD462.6.D45 K64 2006eb
U1  - 541.22 22
PY  - 2006///
CY  - Cambridge
PB  - Cambridge University Press
KW  - Hartree-Fock approximation
KW  - Density functionals
KW  - Condensed matter
KW  - Computer simulation
KW  - Fonctionnelles densité
KW  - Méthode d'approximation Hartree-Fock
KW  - Matière condensée
KW  - Simulation par ordinateur
KW  - SCIENCE
KW  - Chemistry
KW  - Physical & Theoretical
KW  - bisacsh
KW  - fast
N1  - Includes bibliographical references and index; Theory -- The problem of the structure of matter -- The electronic problem -- Quantum many-body theory : chemical approaches -- Density functional theory -- Exchange and correlation in DFT : approximations and their performances -- Computational methods -- Solving the electronic problem in practice -- Atomic pseudopotentials -- Basis sets -- Electronic structure methods -- Simplified approaches to the electronic problem -- Diagonalization and electronic self-consistency -- First-principles molecular dynamics (Car-Parrinello)
N2  - This textbook for graduate students in physics and chemistry describes the theoretical approaches and computational techniques for studying the behavior of electrons. The first part covers the theoretical methods, including both density-functional theory and Hartree-Fock theory and the latter part discusses the different computational methods
UR  - https://search.ebscohost.com/login.aspx?direct=true&scope=site&db=nlebk&db=nlabk&AN=304490
ER  -