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
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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¶

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