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Getting started

Installing the program
Command Line Interface
Jupyter Notebook
Known issues

General sections

Input File Structure
@method settings
@scf
@memory
@jobs
@molecule

Method-specific keywords

Coupled Cluster Theory
Cluster Perturbation Theory
Møller-Plesset Perturbation Theory

Embedding schemes

Polarizable Embedding

Properties

Ground state energies
First-order Properties
UV-Vis Absorption
Electronic Circular Dichroism
Linear Response Functions
Quadratic Response Functions
Cubic Response Functions

Visualization

Visualization of the molecule
Visualizing absorption spectra
Visualizing QM/MM systems

References

References

Repository
Open issue

Index

By The Penguin team

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