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Contents
Title page
Outline
Density-matrix formulation
Density-matrix representation
Density-matrix minimization
Localized spherical-wave basis sets
Basis functions
Properties of basis set
Truncating the basis set
Convergence tests
Basis set transferability
Basis set size
Iterative diagonalization
Optimizing localized functions
The problem
Conclusions
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Peter D. Haynes 2001-11-09
