Welcome to openLOWDIN’s documentation!

openLOWDIN is a computational program that implements the Any Particle Molecular Orbital (APMO) method to study systems containing any type and number of quantum species, such as electrons, positrons, quantum nuclei, muons, or drude oscillators.

This manual is still in early construction stage! Thanks for your patience.

Contents:

• About
  • Capabilities
  • Documentation
  • How to cite:
  • History
  • Acknowledgements
• Developers and contributors
  • Active developers (alphabetical order)
  • Contributors (alphabetic order)
• Installation
  • Dependencies
  • Getting the code
  • Basic installation
  • Step-by-step installation
• Getting started
  • Input file
  • How to run
  • Scratch

Code:

• List of methods/options
• Input
  • General structure
  • GEOMETRY block
  • TASKS block
• Lib
  • DataBases
  • Basis
  • Potential Basis
• CONTROL
  • Dummy variables
  • Geometry optimization
  • Atomic connectivity
  • COSMO
  • Info and units
  • General
  • Molecular Mechanics
  • Miscelaneous options
  • Integrals transformation
  • Libraries
• Outputs
  • Molden and AIM files
  • Gaussian Cubes
  • Gnuplot 2D and 3D graphs
  • Fchk files
• Integrals
  • One-body integrals
  • Two-body integrals
• HF
• SCF
• Potentials
• Properties
• DFT
  • Subsystem embedding Options
• MBPT
• PT
• CI
  • CI Wavefunction
  • Selected CI, SCI
  • Natural orbitals
  • Diagonal corrections
  • CI Input options
• NOCI

Tutorials:

• List of tutorials
• Positronic systems
• Positron covalent bond
• Quantum nuclei
• MP2 example
• PT2 example
• TOEP2 example
• PT3 example
• Negative muons
• Quantum Drude Oscillators
• External potentials
• Molden files
  • Localized orbitals and fchk files
  • CI excited states
• Cubes files
  • Excited states

References:

• Bibliography