Tutorials

Following are the detailed tutorials for HUMMR.

• CASSCF Calculation

• NEVPT2 Calculation

• AC0 Calculation

• Spin-Orbit Coupling and g-tensor Calculation

• Selective CI Calculation

• ASS1ST Procedure

• Plotting Orbitals

• Geometry Optimization

• X-ray Absorption Spectroscopy L-edge Spectrum Simulation

• Reading in and modifying Basis Sets