Wiley Interdisciplinary Reviews Computational Molecular Science· 2017Q1
Software update: the ORCA program system, version 4.0
- 5,800citations
- Q1SCImago
- 2017year
Short summary
The ORCA electronic structure package has been updated to version 4.0, introducing new capabilities since its initial publication in 2012.
AI-generated from the title and abstract; the full text is not read.
Key points
- ORCA electronic structure package updated to version 4.0.
- New capabilities have been added since the 2012 publication.
- Focuses on ab initio and density functional theory methods.
AI-generated from the title and abstract; the full text is not read.
Abstract
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. WIREs Comput Mol Sci 2018, 8:e1327. doi: 10.1002/wcms.1327 This article is categorized under: Electronic Structure Theory > Ab Initio Electronic Structure Methods Electronic Structure Theory > Density Functional Theory Software > Quantum Chemistry
The authors' abstract, as published at the source. Wiley Interdisciplinary Reviews Computational Molecular Science, 2017 · DOI ↗
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Field: Atomic and Molecular Physics, and Optics
Atomic and Molecular Physics, and OpticsPhysics and Astronomy