Basis functions 4 Density functional theory 4 Dynamics 4 Gaussian basis functions 4 Quantum theory 4 Analytical results 2 Asymptotic analysis 2 Asymptotic behaviour 2 Bacterial Proteins 2 Bins 2 Bound state 2 Calculations 2 Chemical environment 2 Complex environments 2 Computational requirements 2 Computer graphics 2 Current voltage characteristics 2 Current voltage curve 2 Data reduction 2 Database systems 2 Dinger equation 2 Electron transport properties 2 Electronic noses 2 Electrons 2 Equations of motion 2 Exchange correlation energy 2 Fast convergence 2 Formamides 2 Fragrances 2 Gas chromatography 2