The cc-pV5Z-F12 basis set: reaching the basis set limit in explicitly correlated calculations
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Toward a W4-F12 approach: Can explicitly correlated and orbital-based ab initio CCSD(T) limits be reconciled?The S66x8 benchmark for noncovalent interactions revisited: explicitly correlated ab initio methods and density functional theory.The aug-cc-pVnZ-F12 basis set family: Correlation consistent basis sets for explicitly correlated benchmark calculations on anions and noncovalent complexes.Ab initio potential energy surface and vibration-rotation energy levels of sulfur dioxide.W4-17: A diverse and high-confidence dataset of atomization energies for benchmarking high-level electronic structure methods.MP2-F12 basis set convergence for the S66 noncovalent interactions benchmark: Transferability of the complementary auxiliary basis set (CABS)
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The cc-pV5Z-F12 basis set: reaching the basis set limit in explicitly correlated calculations
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im Dezember 2014 veröffentlichter wissenschaftlicher Artikel
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wetenschappelijk artikel
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наукова стаття, опублікована в грудні 2014
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The cc-pV5Z-F12 basis set: rea ...... icitly correlated calculations
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The cc-pV5Z-F12 basis set: rea ...... icitly correlated calculations
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The cc-pV5Z-F12 basis set: rea ...... icitly correlated calculations
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The cc-pV5Z-F12 basis set: rea ...... icitly correlated calculations
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The cc-pV5Z-F12 basis set: rea ...... icitly correlated calculations
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The cc-pV5Z-F12 basis set: rea ...... icitly correlated calculations
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P2860
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The cc-pV5Z-F12 basis set: rea ...... icitly correlated calculations
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Kirk A. Peterson
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10.1080/00268976.2014.985755
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2014-12-06T00:00:00Z