Approximately Self-Consistent Ensemble Density Functional Theory With All Correlations

Tim Gould

doi:10.26434/chemrxiv.12382595.v1

Theoretical and Computational Chemistry

Search within Theoretical and Computational Chemistry

Approximately Self-Consistent Ensemble Density Functional Theory With All Correlations

29 May 2020, Version 1

This is not the most recent version. There is a

newer version

of this content available

Working Paper

Tim Gould

Show author details

This content is a preprint and has not undergone peer review at the time of posting.

Abstract

NOTE: This manuscript has been withdrawn from consideration due to an error pointed out during review. The ozone reference calculations reported here as being for singlet-triplet gaps are actually for singlet-singlet excitations. All other results are fine so I leave the preprint with this "erratum".

Keywords

DFT

EDFT

Excitations theory

Supplementary materials

Title

Description

Actions

Title

Supp

Description

Actions

Comments

Comments are not moderated before they are posted, but they can be removed by the site moderators if they are found to be in contravention of our Commenting Policy - please read this policy before you post. Comments should be used for scholarly discussion of the content in question. You can find more information about how to use the commenting feature here .

This site is protected by reCAPTCHA and the Google Privacy Policy and Terms of Service apply.