ExaChem User Guide

Contents:

• 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