Quantum Mechanical Models
From NWChem
Quantum Mechanical Models
Hartree-Fock or Self-consistent Field
Density Functional Theory (DFT) for Molecules
Excited-State Calculations (CIS, TDHF, TDDFT)
Plane-Wave Density Functional Theory (plane-wave DFT)
Tensor Contraction Engine Module: CI, MBPT, and CC