Variational Solutions in Orbital Free Density Functional Theory

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Variational Solutions in Orbital Free Density Functional Theory

This work focusses on testing and developing methods to find solutions to the variational problem at the heart of orbital free density functional theory (OF-DFT). OF-DFT is an inherently linear scaling quantum chemical method which can, in theory, be used to simulate systems with millions of atoms....

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Bibliographic Details
Main Author:	Ryley, Matthew S
Format:	Thesis (University of Nottingham only)
Language:	English
Published:	2020
Subjects:	Orbital Free Density Functional Theory Optimisation Techniques Theoretical Chemistry Density functionals Atomic orbitals
Online Access:	https://eprints.nottingham.ac.uk/60023/

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