Reproducibility in density functional theory calculations of solids
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 …
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 …
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 …
structure calculations and structural properties of the lowest phases compared. In general …
Light-wave dynamic control of magnetism
The enigmatic interplay between electronic and magnetic phenomena observed in many
early experiments and outlined in Maxwell's equations propelled the development of …
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
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 …
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 …
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 …
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 …
theoretical neurobiology, starts from the assumption that living systems ensure adaptive …
Reduced density matrix functional for many-electron systems
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 …
exchange-correlation functional based on a fractional power of the density matrix is …
Laser-induced intersite spin transfer
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 …
in the magnetic structure of materials, including a switching of magnetic order from …