NWChem
NWChem Manual
How to download and install NWChem
Introduction
Quantum Mechanical Methods
Hartree-Fock (HF) Theory
Density Functional Theory (DFT)
Excited-State Calculations (CIS, TDHF, TDDFT)
Real-time TDDFT
Plane-Wave Density Functional Theory (plane-wave DFT)
Tensor Contraction Engine: CI, MBPT, and CC
MP2
Coupled Cluster Calculations
Multiconfiguration SCF
GW calculations
Quantum Molecular Dynamics
Hybrid Approaches
Other Capabilities
NWChem Examples
How to Compile NWChem
Benchmarks performed with NWChem
Known Bugs
FAQ
NWChem Tutorials
Forum
Archived Forum
EMSL Arrows
Software supporting NWChem
Supplementary Information
Containers
NWChem
»
Quantum Mechanical Methods
Edit on GitHub
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Quantum Mechanical Methods
¶
Hartree-Fock (HF) Theory
¶
Density Functional Theory (DFT)
¶
Excited-State Calculations (CIS, TDHF, TDDFT)
¶
Real-time TDDFT
¶
Plane-Wave Density Functional Theory (plane-wave DFT)
¶
Tensor Contraction Engine: CI, MBPT, and CC
¶
MP2
¶
Coupled Cluster Calculations
¶
Multiconfiguration SCF
¶
GW calculations
¶
GitHub
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