Skip to content

Quantum Mechanical Methods

Jump to bottom
edoapra edited this page Mar 3, 2022 · 12 revisions

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

Want to contribute to the NWChem Wiki?

Fork the github wiki repository, modify it and send a pull request.

NWChem User Documentation

Clone this wiki locally