Research data supporting "Reaching Full Correlation through Nonorthogonal Configuration Interaction: A Second-Order Perturbative Approach"

Research data supporting "Reaching Full Correlation through Nonorthogonal Configuration Interaction: A Second-Order Perturbative Approach"

Repository URI

https://www.repository.cam.ac.uk/handle/1810/310939

Repository DOI

https://doi.org/10.17863/CAM.55611

Files

noci_pt2.zip (5.9 MB)

Type

Authors

Burton, Hugh

https://orcid.org/0000-0002-1342-2056

Thom, Alexander

https://orcid.org/0000-0002-2417-7869

Description

Title: Reaching Full Correlation through Nonorthogonal Configuration Interaction: A Second-Order Perturbative Approach

Created: 2020-07-28 Author : Hugh G. A. Burton and Alex J. W. Thom

Further information is provided in the metadata.txt file within the repository.

Software / Usage instructions

Software and usage information is provided in the metadata.txt file within the repository.

Keywords

Electron Correlation, Hartree-Fock, Electronic Structure, Nonorthogonal Configuration Interaction, Theoretical Chemistry

Rights and licensing

Attribution 4.0 International (CC BY 4.0)

Except where otherwised noted, this item's license is described as Attribution 4.0 International (CC BY 4.0)

Relationships

Supplements:

https://www.repository.cam.ac.uk/handle/1810/308595

https://doi.org/10.1021/acs.jctc.0c00468

Collections

Research Data - Chemistry