modified on 20 October 2015 at 14:34 ••• 19,971 views

Quantum Mechanical Methods

From NWChem

(Difference between revisions)
Jump to: navigation, search
(Quantum Mechanical Models)
Line 1: Line 1:
-
=Quantum Mechanical Models=
+
=Quantum Mechanical Theories=
[[Relativistic|Relativistic All-electron Approximations]]
[[Relativistic|Relativistic All-electron Approximations]]

Revision as of 14:57, 9 August 2010

Quantum Mechanical Theories

Relativistic All-electron Approximations

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

MP2

Multiconfiguration SCF

Selected CI

Coupled Cluster Calculations