TDA-xDH Documentation

Contents:

• Installation
  • Install PySCF
  • Install PySCF-TDA-xDH
• Quickstart
  • (1) Start from a Ground-state xDH Calculation
  • (2) Start from a TDA-DFT Calculation with a Conventional Hybrid Functional
• User Guide
  • Choose an xDH
    • xDH Keyword List
    • User-defined xDH
  • Singlets and Triplets
• How to Cite