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Software update: the ORCA program system, version 4.0
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DOI：10.1002/wcms.1327.png)
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Abstract
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This short update provides an overview of the capabilities that have been added to the ORCA electronic structure package (version 4.0) since publication of the first article in 2012. (C) 2017 Wiley Periodicals, Inc.
Keywords:
ORBITAL COUPLED-CLUSTER
RELATIVISTIC BASIS-SETS
AUTOMATIC-GENERATION
HARTREE-FOCK
ENERGIES
SPECTROSCOPY
EFFICIENT
MOLECULES
Journal
W
IF:
27
Papers:
668
Citations:
1.2W
Organization
Cited Papers
Magneto-Structural Correlations in Pseudotetrahedral Forms of the [Co(SPh)4]2- Complex Probed by Magnetometry, MCD Spectroscopy, Advanced EPR Techniques, and ab Initio Electronic Structure Calculations.png)
INORGANIC CHEMISTRY
INORGANIC CHEMISTRYIF4.7
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Further Results on Stable Recovery of Sparse Overcomplete Representations in the Presence of Noise
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