VeloxChem program manual

Home

Getting started

Pushing the limits
Installing the program
Running on a desktop
Running on a cluster
Input file keywords

Model chemistry

Reference states
Exchange–correlation functionals
Basis sets
Hamiltonian
Environment

Properties

UV/vis absorption/emission
Optical activity and dichroism
Vibrational spectroscopies
Potential energy surfaces
Magnetic resonances
Linear response
Multi-photon interactions
X-ray spectroscpies

Visualization

Electronic densities

Advanced users

Program structure
Source code structure

References

References

Powered by Jupyter Book

Potential energy surfaces¶

previous

Vibrational spectroscopies

next

Magnetic resonances

By The VeloxChem team
© Copyright 2021.