Quantum theory Mathematical models 35 Hamiltonians 8 Computer simulation 7 Approximation theory 5 Eigenvalues and eigenfunctions 5 Molecular dynamics 5 Probability density function 5 Integral equations 4 Numerical methods 4 Random processes 4 Algorithms 3 Brownian movement 3 Calculations 3 Correlation methods 3 Electron transitions 3 Fermions 3 Ground state 3 Irreversibility 3 Matrix algebra 3 Molecular structure 3 Phase transitions 3 Photochemical reactions 3 Photons 3 Activation energy 2 Brownian motion 2 Chaos theory 2 Chemical bonds 2 Coherent light 2 Computation theory 2