In-depth user guide ################### Welcome to the in-depth documentation for the Quantum Development Kit (QDK) Chemistry library. This documentation provides detailed information about QDK/Chemistry's structure, components, and usage patterns. The QDK/Chemistry library is designed to facilitate quantum chemistry calculations and simulations. It provides a set of tools and libraries for working with molecular structures, performing electronic structure calculations, analyzing quantum many-body systems, and running calculations on quantum hardware or simulators. QDK/Chemistry features a unified interface for community quantum chemistry software packages, allowing seamless interoperability with established software while maintaining a consistent API. This enables users to leverage specialized capabilities across different packages without changing their workflow. An example workflow diagram is shown below. .. graphviz:: /_static/diagrams/workflow.dot :alt: QDK/Chemistry Workflow :align: center | This documentation is organized into the following sections: .. toctree:: :maxdepth: 2 design/index data/index algorithms/index basis_functionals model_hamiltonians plugins