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Quantum Mechanical Methods

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(Quantum Mechanical Models)
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=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


Multiconfiguration SCF

Selected CI

Coupled Cluster Calculations