VeloxChem program manual

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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

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Electronic densities

By The VeloxChem team
© Copyright 2021.