CP2K
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Density Functional Theory
Post Hartree-Fock
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Machine Learning
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QM/MM
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X-Ray
Optical
Infrared
Raman
Nuclear Magnetic Resonance
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Release Versions
2023.2
2023.1
All versions
CP2K
Spectroscopy
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Spectroscopy
X-Ray
Optical
Infrared
Raman
Nuclear Magnetic Resonance