Surprising performance for vibrational frequencies of the distinguishable clusters with singles and doubles (DCSD) and MP2.5 approximations

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Surprising performance for vibrational frequencies of the distinguishable clusters with singles and doubles (DCSD) and MP2.5 approximations

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наукова стаття, опублікована у 2017

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Surprising performance for vib ...... DCSD) and MP2.5 approximations

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Surprising performance for vib ...... sters with singles and doubles

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Surprising performance for vib ...... DCSD) and MP2.5 approximations

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Surprising performance for vib ...... sters with singles and doubles

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Surprising performance for vib ...... DCSD) and MP2.5 approximations

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Surprising performance for vib ...... sters with singles and doubles

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P1476

Surprising performance for vib ...... DCSD) and MP2.5 approximations

@en

P2093

Jan M. L. Martin

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Nitai Sylvetsky

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P2860

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Revisiting the Atomic Natural Orbital Approach for Basis Sets: Robust Systematic Basis Sets for Explicitly Correlated and Conventional Correlated ab initio Methods?

Communication: The distinguishable cluster approximation.

Property-optimized gaussian basis sets for molecular response calculations.

Improvement of the coupled-cluster singles and doubles method via scaling same- and opposite-spin components of the double excitation correlation energy.

Balanced basis sets of split valence, triple zeta valence and quadruple zeta valence quality for H to Rn: Design and assessment of accuracy.

DSD-PBEP86: in search of the best double-hybrid DFT with spin-component scaled MP2 and dispersion corrections.

P31

scholarly article

P356

10.1063/1.5012284

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P50

Manoj K Kesharwani

P577

2017-01-01T00:00:00Z

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P818

1705.01889

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