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Handbook of Computational Chemistry
1 From Quantum Theory to Computational Chemistry. A Brief Account of Developments
Introduction – Exceptional Status of Chemistry
A Hypothetical Perfect Computer
Does Predicting Mean Understanding?
Power of Computer Experiments
2 The Position of the Clamped Nuclei Electronic Hamiltonian in Quantum Mechanics
The Clamped Nuclei Approximation
The Separation of Translational Motion
Choosing Electronic and Nuclear Variables in the Translationally InvariantHamiltonian
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