The DOI matches its Crossref record.
Software update: the ORCA program system, version 4.0
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
Overview
The claims and statistics of this paper haven’t been checked yet.
Run the check — free, no account needed. It reads the open-access text and checks the sources it cites.
Integrity signals
Registry
Cites
Statistics
Verification
Claims the paper makes
The claims and statistics of this paper haven’t been checked yet.
Run the check — free, no account needed. It reads the open-access text and checks the sources it cites.
Self-check
Percentages, sums and reported differences re-computed from the paper’s own numbers.
The self-check needs the paper’s full text.
Citations
Cited by
Software update: The ORCA program system—Version 5.0
Neese, F. (2022) · WIREs Computational Molecular Science · doi:10.1002/wcms.1606 · Cited by 4,963
Self-citationPershin, A., Hall, D., Lemaur, V., Sancho-Garcia, J.-C., Muccioli, L., Zysman-Colman, E., Beljonne, D., & Olivier, Y. (2019) · Nature Communications · doi:10.1038/s41467-019-08495-5 · Cited by 478
Garcia‐Ratés, M., & Neese, F. (2020) · Journal of Computational Chemistry · doi:10.1002/jcc.26139 · Cited by 478
Self-citationPerspective on the Current State-of-the-Art of Quantum Computing for Drug Discovery Applications
Blunt, N. S., Camps, J., Crawford, O., Izsák, R., Leontica, S., Mirani, A., Moylett, A. E., Scivier, S. A., Sünderhauf, C., Schopf, P., et al. (2022) · Journal of Chemical Theory and Computation · doi:10.1021/acs.jctc.2c00574 · Cited by 192
Orbital optimized unitary coupled cluster theory for quantum computer
Mizukami, W., Mitarai, K., Nakagawa, Y. O., Yamamoto, T., Yan, T., & Ohnishi, Y.-Y. (2020) · Physical Review Research · doi:10.1103/physrevresearch.2.033421 · Cited by 116
Metadata
- Authors
- Neese, F.
- Venue
- WIREs Computational Molecular Science
- Publisher
- Wiley
- Published
- 2017-07-17
- Volume
- 8
- Issue
- 1
- ISSN
- 1759-0876 (ISSN-L)
- 1759-0884
- OpenAlex
- W2739439285
- Cited by
- 5,556
- References
- 0
- FWCI
- 154.96
- Type
- journal article
- Language
- en
- Open access
- closed
About these checks
Registry, retraction, Cites and statistics results are computed, not judged, with one exception: a printed reference that no index lists is read once by a model before it counts as a citation error. Claims are extracted by a model and kept only when their quote appears verbatim in the text; each cited source is then checked, with a model’s help, for whether it says what the claim relies on. Those verdicts can be wrong — read the claim’s quote and the cited source before relying on one.
Statistics and arithmetic are recomputed, not judged.
Confidence bands are shown only for fields calibrated on our annotated test set. None is calibrated yet, so no band is shown.
What counts as a claim ›How we measure confidence ›How we check this ›
Are you an author, or do you see a problem with this page? Request a review
How to cite
Cite CoChat for the checks on this page, and the paper for its own findings.
- This page
- CoChat. (2026). Citation check: Software update: the ORCA program system, version 4.0. https://app.cochat.ai/papers/10.1002/wcms.1327
- The paper
- Neese, F. (2018). Software update: the ORCA program system, version 4.0. WIREs Computational Molecular Science. https://doi.org/10.1002/wcms.1327
Data sources
Bibliographic data: Semantic Scholar, OpenAlex, Crossref.
Contains information from the Semantic Scholar Academic Graph Datasets, made available under the ODC Attribution License (ODC-BY 1.0).
Semantic Scholar’s data is described in: Kinney, R., et al. (2023). The Semantic Scholar Open Data Platform. arXiv:2301.10140.
