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5.1 Introduction
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Thesis
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4.9 Summary
 
Contents
5. Wavefunction optimisation
Subsections
5.1 Introduction
5.2 The importance of wavefunction optimisation
5.3 Objective functions
5.4 Numerical instabilities
5.5 Analysis of objective functions
5.6 Further effects of finite sampling
5.7 Tests of minimisation procedures
5.7.1 The model system
5.7.2 Generation of test ensemble
5.7.3 Results
5.8 Limitation of outlying energies
5.9 Other objective functions
5.10 Conclusions
©
Paul Kent