Search

modified on 21 September 2011 at 12:01 ••• 3,670 views

Quantum Mechanical Methods

From NWChem

Revision as of 12:01, 21 September 2011 by Bert (Talk | contribs)

(diff) ← Older revision | Latest revision (diff) | Newer revision → (diff)

Jump to: navigation, search

Hartree-Fock (HF) Theory

Density Functional Theory (DFT)

Excited-State Calculations (CIS, TDHF, TDDFT)

Plane-Wave Density Functional Theory (plane-wave DFT)

Tensor Contraction Engine: CI, MBPT, and CC

MP2

Coupled Cluster Calculations

Multiconfiguration SCF

Selected CI

Retrieved from "http://www.nwchem-sw.org/index.php/Quantum_Mechanical_Methods"