عنوان
پدید آورنده
موضوع
رده
QD462.6.D45 K64 2006eb
QD462
.
6
.
D45
K64
2006eb
کتابخانه
محل استقرار
0511189915
0511190557
0511190875
051156175X
0511648316
0511755619
9780511189913
9780511190551
9780511190872
9780511561757
9780511648311
9780511755613
0521815916
9780521815918
b717958
Electronic structure calculations for solids and molecules :
[Book]
theory and computational methods /
Jorge Kohanoff.
Cambridge :
Cambridge University Press,
2006.
1 online resource (xxii, 348 pages) :
illustrations
Condensed matter physics, nanoscience and mesoscopic physics
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).
0
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.
OverDrive, Inc.
eBook Library
2827EB96-1ECD-4804-954B-30943E11DE56
EBL273627
Electronic structure calculations for solids and molecules.
9780521815918
Condensed matter-- Computer simulation.
Density functionals.
Hartree-Fock approximation.
Fonctionnelles densité
Hartree-Fock, Méthode d'approximation.
Matière condensée-- Simulation par ordinateur.
Condensed matter-- Computer simulation.
Density functionals.
Hartree-Fock approximation.
SCIENCE-- Chemistry-- Physical & Theoretical.
K
SCI-- 013050
541
.
22
22
QD462
.
6
.
D45
K64
2006eb
Kohanoff, Jorge José.
20201208101111.0
pn
مطالعه متن کتاب [Book]
Y
