Welcome to SCCE beta#

This is the beta version of the HQS SCCE software. The Self-Consistent Cluster Embedding (SCCE) package is developed by HQS Quantum Simulations GmbH.

The current beta version of the SCCE embedding software supports the inverse Hartree-Fock (iHF) and inverse density functional theory (iDFT) based self-consistent embedding schemes. SCCE furthermore offers an easy-to-use backend to a DMRG solver for performing simulations of Hubbard-like and spin models in one and two dimensions. Additional self-consistent embedding schemes are currently being tested and improved at HQS.

During the current beta release cycles we are emphasizing the extension of the models with respect to site and interaction types. The self-consistent embedding loop is therefore currently restricted to spin symmetric systems.

Contents:

Introduction
Parameters
- Unit-Cell and System Parameters
Physics
- Lattice models
- Hamiltonians
- Reduced density matrices
  - Rationale
  - Corollary
- Cluster Embedding
  - SCCE/iMF
  - CPT
  - DMFT
  - CDMFT
  - DMET
  - CASSCF
Tutorials
- General Tutorial
  - Unitcell
  - Lattice System
Examples
- Simple Examples
Results
- Result Files
  - Plain HDF5
  - Pandas
  - JSON
  - YAML
- Content
  - Unitcell
  - System
  - Run
  - Result
Schema definitions
FAQ
Gallery
- Band structures calculated with CPT
- Properties of large systems