CP2K
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Density Functional Theory
Gaussian Plane Wave
Gaussian Augmented Plane Waves
Hartree-Fock Exchange
Local Resolution of Identity
Constrained DFT
Linear Scaling DFT
Basis Sets
Pseudopotentials
Post Hartree-Fock
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Sampling
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2023.2
2023.1
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CP2K
Density Functional Theory
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Density Functional Theory
Gaussian Plane Wave
Gaussian Augmented Plane Waves
Hartree-Fock Exchange
Local Resolution of Identity
Constrained DFT
Linear Scaling DFT
Basis Sets
Pseudopotentials