分子和固體中的電子關聯

分子和固體中的電子關聯

图书基本信息
出版时间:2011-4
出版社:世界圖書出版公司
作者:福爾德
页数:480
书名:分子和固體中的電子關聯
封面图片
分子和固體中的電子關聯

内容概要
  《分子和固體中的電子關聯(英文版)》用獨特的方法講述分子和固體中的電子關聯。分子和固體中的電子關聯性為量子化學和固態物理學架起了一座橋梁,書中前半部分新概念的講述為了很好的處理多體和關聯效應,結合標準量子化學方法的映射技巧,格林函數方法和monte-carlo技巧;後半部分講述了在分子、半導體、過渡金屬、重費米體系和新高-tc超導材料中的應用。目次︰導論;獨立電子逼近;密度函數理論;電子相關的量子化學方法;累積量,劃分和映射;興奮狀態;有限溫度技巧;原子和分子相關;半導體和絕緣體;同質金屬系統;過渡金屬;強關聯電子;重費米體系;超導和高-tc材料。
  讀者對象︰物理專業的研究生,教師和材料科學相關的專業人士。
作者简介
作者︰(德國)福爾德(P.Fulde)
书籍目录
1.introduction
2.the independent-electron approximation
2.1 starting hamiltonian
2.2 basis functions and basis sets
2.3 self-consistent field approximation
2.4 simplified scf calculational schemes
2.4.1 semi-empirical scf methods
2.4.2 pseudopotentials
2.5 koopmans' theorem
2.6 homogeneous electron gas
2.7 local exchange potential - the xa method
2.8 shortcomings of the independent-electron approximation
2.9 unrestricted scf approximation
3.density functional theory
3.1 thomas-fermi method
3.2 hohenberg-kohn-sham theory
3.3 local-density approximation
3.4 results for atoms, molecules, and solids
3.5 extensions and limitations
4.quantum-chemical approach to electron correlations
4.1 configuration interactions
4.1.1 local and localized orbitals
4.1.2 selection of double substitutions
4.1.3 multireference ci
4.2 many-body perturbation theory
5.cumulants, partitioning, and projections
5.1 cumulant representation
5.1.1 ground-state energy
5.1.2 perturbation expansion
5.2 projection and partitioning techniques
5.2.1 coupled-electron-pair approximations
5.2.2 projections based on local operators
5.2.3 method of increments
5.3 coupled-cluster method
5.4 comparison with various trial wavefunctions
5.5 simplified correlation calculations
6.excited states
6.1 ci calculations and basis set requirements
6.2 excitation energies in terms of cumulants
6.3 green's function method
6.3.1 perturbation expansions
6.3.2 the projection method
6.4 local operators
7.finite-temperature techniques
7.1 approximations for thermodynamic quantities
7.1.1 temperature green's function
7.1.2 the projection method for t 4:0
7.2 functional-integral method
7.2.1 static approximation
7.3 monte carlo methods
7.3.1 sampling techniques
7.3.2 ground-state energy
8.correlations in atoms and molecules
8.1 atoms
8.2 hydrocarbon molecules
8.2.1 analytic expressions for correlation-energy
contributions
8.2.2 simplified correlation calculations
8.3 molecules consisting of first-row atoms
8.4 strength of correlations in different bonds
8.5 polymers
8.5.1 polyethylene
8.5.2 polyacetylene
8.6 photoionization spectra
9.semiconductors and insulators
9.1 ground-state correlations
9.1.1 semi-empirical correlation calculations
9.1.2 ab initio calculations
9.2 excited states
9.2.1 role of nonlocal exchange
9.2.2 the energy gap problem
9.2.3 hedin's gw approximation
10.homogeneous metallic systems
10.1 fermi-liquid approach
10.2 charge screening and the random-phase approximation
10.3 spin fluctuations
11.transition metals
11.1 correlated ground state
11.2 excited states
11.3 finite temperatures
11.3.1 single-site approximation
11.3.2 two-sites approximation
11.3.3 beyond the static approximation
12.strongly correlated electrons
12.1 molecules
12.2 anderson hamiltonian
12.2.1 calculation of the ground-state energy
12.2.2 excited states
12.2.3 noncrossing approximation
12.3 effective exchange hamiltonian
12.3.1 schrieffer-wolff transformation
12.3.2 kondo divergency
12.3.3 fermi-liquid description
12.4 magnetic impurity in a lattice of strongly correlated
electrons
12.5 hubbard hamiltonian
12.5.1 ground-state: gutzwiller's wavefunction and spin-density
wave state
12.5.2 excitation spectrum
12.5.3 the limits of one dimension and infinite dimensions
12.6 the t - j model
12.7 slave bosons in the mean-field approximation
12.8 kanamori's t-matrix approach
13.heavy-fermion systems
13.1 the fermi surface and quasiparticle excitations
13.1.1 large versus small fermi surface
13.2 model hamiltonian and slave bosons
13.3 application of the noncrossing approximation
13.4 variational wavefunctions
13.5 quasiparticle interactions
13.6 quasiparticle-phonon interactions based on strong
correlations
14.superconductivity and the high-te materials
14.1 the superconducting state
14.1.1 pair states
14.1.2 bcs ground state
14.1.3 pair breaking
14.2 electronic properties of the high-tc materials
14.2.1 electronic excitations in the cu-o planes
14.2.2 calculation of the spectral weight by projection
techniques
14.2.3 size of the fermi surface
14.3 other properties of the cuprates
14.3.1 loss of antiferromagnetic order
14.3.2 optical conductivity
14.3.3 magnetic response
14.4 heavy fermions in nd2_xcexcuo4
appendix
a.relation between exc[p] and the pair distribution function
b.derivation of several relations involving cumulants
c.projection method of mori and zwanzig
d.cross:over from weak to strong correlations
e.derivation of a general form for ω)
f.hund's rule correlations
g.cumulant representation of expectation values and correlation
functions
h.diagrammatic representation of certain expectation values
i.derivation of the quasiparticle equation
j.coherent-potential approximation
k.derivation of the nca equations
l.ground-state energy of a heisenberg antiferromagnet on a square
lattice
m.the lanczos method
references
subject index

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评论与打分
  •     很好的一本書,理論到位也適用。
  •     很專向的書,內容很豐富。
  •     講解的很詳細,範圍也很廣,參考價值不錯