Big Chemical Encyclopedia

Chemical substances, components, reactions, process design ...

Articles Figures Tables About

Many-body, generally electron dynamics methods

This chapter begins a series of chapters devoted to electronic structure and transport properties. In the present chapter, the foundation for understanding band structures of crystalline solids is laid. The presumption is, of course, that said electronic structures are more appropriately described from the standpoint of an MO (or Bloch)-type approach, rather than the Heitler-London valence-bond approach. This chapter will start with the many-body Schrodinger equation and the independent-electron (Hartree-Fock) approximation. This is followed with Bloch s theorem for wave functions in a periodic potential and an introduction to reciprocal space. Two general approaches are then described for solving the extended electronic structure problem, the free-electron model and the LCAO method, both of which rely on the independent-electron approximation. Finally, the consequences of the independent-electron approximation are examined. Chapter 5 studies the tight-binding method in detail. Chapter 6 focuses on electron and atomic dynamics (i.e. transport properties), and the metal-nonmetal transition is discussed in Chapter 7. [Pg.175]


See other pages where Many-body, generally electron dynamics methods is mentioned: [Pg.125]    [Pg.106]    [Pg.510]    [Pg.75]    [Pg.134]    [Pg.20]    [Pg.16]    [Pg.213]    [Pg.143]    [Pg.16]    [Pg.3]    [Pg.135]    [Pg.737]    [Pg.1352]    [Pg.222]   
See also in sourсe #XX -- [ Pg.37 ]




SEARCH



Dynamic method

Dynamical general

Dynamics, many-body

Electron Methods

Electron dynamics

Generalized electronic

Many-body

Many-body methods

© 2024 chempedia.info