ExaChem Documentation

Contents:

• Introduction to ExaChem
• Installation
  • Dependencies
  • Build instructions for a quick start
  • Running the code
• ExaChem User Guide
  • Basic input options
    • Geometry
    • Common options
    • Basis set options
    • TASK Options
    • DPLOT Options
  • Geometry Analysis and Optimization
    • Geometry Analysis
    • Geometry Optimization
  • Quantum Mechanical Methods
    • SCF
    • Cholesky Decomposition
    • Coupled Cluster Calculations
    • Quantum Electrodynamics (QED)
    • Green’s function coupled-cluster (GFCC)
    • Bibliography
  • Performance Benchmarks
    • CCSD
• ExaChem Developer Guide