Extending density-functional theory to molecules in
magnetic fields

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Extending density-functional theory to molecules in magnetic fields

The density-functional theory (DFT) of Hohenberg and Kohn [1] has become the Swiss army knife of the quantum chemist, able to tackle nearly all electronic structure problems with impressive accuracy and efficiency, and it is common to see DFT calculations reported alongside experimental observations...

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Bibliographic Details
Main Author:	Furness, J.W.
Format:	Thesis (University of Nottingham only)
Language:	English
Published:	2017
Subjects:	Current Density Functional Theory Magnetic Fields
Online Access:	https://eprints.nottingham.ac.uk/39336/

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