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On assessing functional errors in density functional theory using atomisation energies and electric field gradients (2021)

First Author: Littlefair J

Attributed to: International Network on Polyoxometalate Science for Advanced Functional Energy Materials funded by EPSRC

Abstract

No abstract provided

Bibliographic Information

Digital Object Identifier: http://dx.doi.org/10.1002/qua.26799

Publication URI: http://dx.doi.org/10.1002/qua.26799

Type: Journal Article/Review

Parent Publication: International Journal of Quantum Chemistry

Issue: 23