Accurate condensed-phase quantum chemistry için kapak resmi
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
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E-Kitap 546959-1001 QD462 .A33 2011
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