ExaChem
Contents:
Introduction to ExaChem
Installation
ExaChem User Guide
Basic input options
Geometry Analysis and Optimization
Quantum Mechanical Methods
SCF
Cholesky Decomposition
Coupled Cluster Calculations
Quantum Electrodynamics (QED)
Green’s function coupled-cluster (GFCC)
Bibliography
Performance Benchmarks
ExaChem Developer Guide
ExaChem
ExaChem User Guide
Quantum Mechanical Methods
View page source
Quantum Mechanical Methods
SCF
Cholesky Decomposition
Coupled Cluster Calculations
CCSD
CCSD perturbative triples (T)
DUCC
EOMCCSD
RT-EOMCCSD
Quantum Electrodynamics (QED)
Citing this work
Green’s function coupled-cluster (GFCC)
Methodology
Key Features
Example
Input File
Output File
Performance
Citing this work
Acknowledgments
Bibliography