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 using Gaussian.
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Tutorial
XMCQDPT
Extended Multireference electronic structure calculations for excited state analysis using GAMESS.
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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 using MCTDH.
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Tutorial
CASSCF
Multireference electronic structure calculations for excited state analysis including static correlations for molecular systems using ORCA.