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A personal perspective on density-functional theory: 50 years young and stronger than ever

Fifty years ago, in 1964, Pierre Hohenberg and Walter Kohn laid the foundations to density-functional theory. This theory and its implementations in computer codes were resoundingly successful to this day. In this personal view on density-functional theory we will discuss a few problems and open questions regarding developments in functionals, treatment of systems, handling of excited states, accounting for dispersion interactions, choice of reference systems, ways beyond locality, and consequences of how exchange interactions are treated.

Print publication date: 13 Nov 2014
Copyright year: 2015
Print ISBN: 978-1-84973-954-2
PDF eISBN: 978-1-78262-011-2
ePub eISBN: 978-1-78262-337-3
Citation: