Accurate condensed-phase quantum chemistry
tarafından
 
Manby, Frederick R.

Başlık
Accurate condensed-phase quantum chemistry

Yazar
Manby, Frederick R.

ISBN
9780429134241

Fiziksel Tanımlama
1 online resource (220 pages)

Seri
Computation in chemistry

İçerik
chapter 1 Laplace transform second-order Møller–Plesset methods in the atomic orbital basis for periodic systems / chapter 2 Density fitting for correlated calculations in periodic systems / chapter 3 The method of increments—a wavefunction-based correlation method for extended systems / chapter 4 The hierarchical scheme for electron correlation in crystalline solids / chapter 5 Electrostatically embedded many-body expansion for large systems / chapter 6 Electron correlation in solids: Delocalized and localized orbital approaches / chapter 7 Ab initio Monte Carlo simulations of liquid water

Konu Terimleri
Quantum chemistry.
 
Condensed matter.

Yazar Ek Girişi
Manby, Frederick R.

Elektronik Erişim
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Çevrimiçi KütüphaneE-Kitap546959-1001QD462 .A33 2011CRC E-Books