Energy densities: a systematic approach to correlation in density functional theory

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Energy densities: a systematic approach to correlation in density functional theory

Density functional theory (DFT) has grown to become by far the most widely applied method in the modelling of electronic systems yet, in contrast to wavefunction-based ab initio methods, the reliability of a DFT calculation can be uncertain. This is because the essential ingredient required for a DF...

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Bibliographic Details
Main Author:	Irons, Tom J.P.
Format:	Thesis (University of Nottingham only)
Language:	English
Published:	2019
Subjects:	Density functional theory Coupled cluster Energy densities Quantum chemistry Computational chemistry Ab Initio
Online Access:	https://eprints.nottingham.ac.uk/56281/

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