Additional Validation Examples¶

This section contains tutorials based on the Continuous Integration (CI) tests used to validate CHAMP.

Basic VMC & DMC¶

• H2 Verification
• Butadiene DMC
• Water DMC with TREXIO

Advanced Wavefunctions¶

• Butadiene SDT Excitations
• Butadiene Determinant Scaling
• Water 3-Body Jastrow

Optimization Techniques¶

• Water Optimization (TREXIO)
• HNO State-Specific Opt
• Ethanol Orbital Opt
• Butadiene CSF Opt
• PSB Multi-State Opt
• Butadiene Geometry Opt

Advanced Features¶

• TREXIO Backend Comparison
• Periodic Systems & Forces