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Condensed matter

News and Updates

Projects and Programs

Publications

Core-hole potentials and related effects

Author(s)
Eric L. Shirley, Lars G. Pettersson, D. Prendergast
We consider the constrained-occupancy and (linear-response) self-consistent-field methods for screening of core-hole potentials that affect core excitation near

2p x-ray absorption spectroscopy of 3d transition metal systems

Author(s)
Eric L. Shirley, John Vinson, Frank de Groot, Hebatalla Elnaggar, Federica Frati, Ru-pan Wang, Mario Delgado, Michel van Veenendaal, Maurits Haverkort, Robert Green, Yaroslav Kvashnin, Atsushi Hariki, Harry Ramanantoanina, Claude Daul, Bernard Delley, Michael Odelius, Marcus Lundberg, Oliver Kuhn, Sergey Bokarev, Keith Gilmore, Mauro Stener, Giovanni Fronzoni, Piero Decleva, Peter Kruger, Marius Retegan, Javier Fernandez-Rodriguez, Gerritt van der Laan, Yves Joly, Christian Vorwerk, Claudia Draxl, John Rehr, Arata Tanaka, Hidekazu Ikeno
A variety of methods are presented that are presently used to treat x-ray absorption spectra of transition-metal 2p edges in a wide range of compounds

Software

HolograFREE

An electron hologram is a fringe modulated image containing the amplitude and phase information of an electron transparent object. The HolograFREE routines

OCEAN

OCEAN is a versatile package for calculating both optical/UV and core-edge spectroscopy. It is a first-principles code based on both ground-state density

Tools and Instruments