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Dataset results
5 results for “CCSD(T)”
Efficient implementation of molecular CCSD gradients with Cholesky-decomposed electron repulsion integrals
<p>Initial and optimized geometries from the manuscript "Efficient implementation of molecular CCSD gradients with Cholesky-decomposed electron repulsion integrals"</p>
Geometries for 'Multilevel CC2 and CCSD in reduced orbital spaces: electronic excitations in large molecular systems'
<p>Geometries in the .xyz format for molecular systems used in '<em>Multilevel CC2 and CCSD in reduced orbital spaces: electronic excitations in large molecular systems</em>'</p>
Data for: Thermodynamics of the gas-phase dimerization of formic acid: fully anharmonic finite temperature calculations at the CCSD(T) and many DFT levels
<p>We provide data files needed to reproduce the MLPT calculations presented in work of Dávid Vrška, Michal Pitoňák and Tomáš Bučko: "Thermodynamics of the gas-phase dimerization of formic acid: Fully anharmonic finite temperature calculations at the CCSD(T) and many DFT levels" or to perform such calculation for any other electronic structure method not considered in mentioned work. In particular, the structural data are available in the standard xyz file format containing the atomic labels and atomic coordinates in Angstroms (Å), and the energies are provided as data files in a two-column format, where the items in the first column represent the identification numbers of each configuration and those in the second column are the corresponding energies in electronvolts (eV).</p>
Data for: Thermodynamics of the gas-phase dimerization of formic acid: fully anharmonic finite temperature calculations at the CCSD(T) and many DFT levels
Open the record for dataset details and reuse information.
Geometries for "Equation-of-motion MLCCSD and CCSD-in-HF oscillator strengths and their application to core excitations"
<p>Geometries used in "Equation-of-motion MLCCSD and CCSD-in-HF oscillator strengths and their application to core excitations"</p>
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Allen Brain Atlas
Allen Brain Atlas is an Allen Institute collection of brain map atlases, datasets, APIs, and analysis tools covering mouse, human, and non-human primate brain resources.
Annotated Behaviour and Observability Dataset (ABODe)
ABODe is a University of Edinburgh DataShare dataset for behavior classification in group-housed mice using home-cage video, identities, bounding boxes, ground-plate positions, and annotator labels.
DANDI Archive for NWB datasets
DANDI is a BRAIN Initiative archive for publishing and sharing neurophysiology data, including electrophysiology, optophysiology, and behavioral data packaged as NWB and related standards.
International Brain Laboratory public data
The International Brain Laboratory public data releases expose standardized mouse decision-making experiments, including Neuropixels recordings, widefield calcium imaging, behavior, and session metadata accessed through the ONE API.
OpenNeuro
OpenNeuro is a free, open platform for sharing neuroimaging datasets, with public search, dataset pages, and download paths for web, S3, DataLad, and the OpenNeuro CLI.