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Quantum Mechanical Methods

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=Quantum Mechanical Models=
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[[Relativistic|Relativistic All-electron Approximations]]
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[[SCF|Hartree-Fock or Self-consistent Field]]
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[[DFT|Density Functional Theory (DFT) for Molecules]]
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[[Excited-State_Calculations|Excited-State Calculations (CIS, TDHF, TDDFT)]]
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[[NWPW|Plane-Wave Density Functional Theory (plane-wave DFT)]]
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[[TCE|Tensor Contraction Engine Module: CI, MBPT, and CC]]
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[[MP2|MP2]]
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[[MCSCF|Multiconfiguration SCF]]
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[[SELCI|Selected CI]]
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[[CCSD|Coupled Cluster Calculations]]

Revision as of 14:56, 9 August 2010

Quantum Mechanical Models

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

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