Reproducibility in density functional theory calculations of solids

K Lejaeghere, G Bihlmayer, T Björkman, P Blaha… - Science, 2016 - science.org
INTRODUCTION The reproducibility of results is one of the underlying principles of science.
An observation can only be accepted by the scientific community when it can be confirmed …

[BOOK][B] Small business and entrepreneurship

P Burns, J Dewhurst - 1996 - Springer
This extensively revised edition of this popular text deals with the problems and issues
facing entrepreneurs and small business today. It now includes: a number of new …

Relative stability of and structural phases

JE Lowther, JK Dewhurst, JM Leger, J Haines - Physical review B, 1999 - APS
The potentially hard oxides ZrO 2 and HfO 2 are investigated using ab initio electronic
structure calculations and structural properties of the lowest phases compared. In general …

Light-wave dynamic control of magnetism

F Siegrist, JA Gessner, M Ossiander, C Denker… - Nature, 2019 - nature.com
The enigmatic interplay between electronic and magnetic phenomena observed in many
early experiments and outlined in Maxwell's equations propelled the development of …

Bootstrap approximation for the exchange-correlation kernel of time-dependent density-functional theory

S Sharma, JK Dewhurst, A Sanna, EKU Gross - Physical review letters, 2011 - APS
A new parameter-free approximation for the exchange-correlation kernel f xc of time-
dependent density-functional theory is proposed. This kernel is expressed as an algorithm in …

Laser-induced demagnetization at ultrashort time scales: Predictions of TDDFT

K Krieger, JK Dewhurst, P Elliott… - Journal of chemical …, 2015 - ACS Publications
Time-dependent density functional theory (TDDFT) is implemented in an all electron solid-
state code for the case of fully unconstrained noncollinear spins. We use this to study …

Convergence clubs and relative economic performance in Great Britain: 1977–1991

M Chatterji, JHL Dewhurst - Regional studies, 1996 - Taylor & Francis
Abstract C HATTERJI M. and D EWHURST JH L L.(1996) Convergence clubs and relative
economic performance in Great Britain: 1977–1991, Reg. Studies 30, 31–40. Movements in …

The emperor's new Markov blankets

J Bruineberg, K Dołęga, J Dewhurst… - Behavioral and Brain …, 2022 - cambridge.org
The free energy principle, an influential framework in computational neuroscience and
theoretical neurobiology, starts from the assumption that living systems ensure adaptive …

Reduced density matrix functional for many-electron systems

S Sharma, JK Dewhurst, NN Lathiotakis, EKU Gross - Physical Review B, 2008 - APS
Reduced density matrix functional theory for the case of solids is presented and an
exchange-correlation functional based on a fractional power of the density matrix is …

Laser-induced intersite spin transfer

JK Dewhurst, P Elliott, S Shallcross, EKU Gross… - Nano …, 2018 - ACS Publications
Laser pulses induce spin-selective charge flow that we show to generate dramatic changes
in the magnetic structure of materials, including a switching of magnetic order from …