Featured Tutorials
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Tutorial
Transition State Search
Locate and verify first-order saddle points connecting reactants and products along a reaction path.
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Tutorial
CASSCF
Multireference electronic structure calculations for excited state analysis.
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Tutorial
Wave Packet Propagation: Quantum Nuclear Dynamics
Run ab initio molecular dynamics trajectories for reactive systems, get time evolution of population along states and plot the absorption spectrum Read tutorial
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Tutorial
NEVPT2
Run N electron-valence Pertubation using and analyze dyanmical and static correlations for molecular systems.