Publications

Obituary for Walter Kohn (19232016)

Density functional theory for d and felectron materials and compounds

Probing offHugoniot states in Ta, Cu, and Al to 1000 GPa compression with magnetically driven liner implosions

R. W. Lemke, D. H. Dolan, D. G. Dalton, J. L. Brown, K. Tomlinson, G. R. Robertson, M. D. Knudson, E. Harding, A. E. Mattsson, J. H. Carpenter, R. R. Drake, K. Cochrane, B. E. Blue, A. C. Robinson, and T. R. Mattsson
 Journal of Applied Physics 119, 015904 (2016).
 Link to JAP (subscription needed)

Artificial viscosity: back to the basics

Validating densityfunctional theory simulations at high energydensity conditions with liquid krypton shock experiments to 850 GPa on Sandia's Z machine

Thomas R. Mattsson, Seth Root, Ann E. Mattsson, Luke Shulenburger, Rudolph J. Magyar, and Dawn G. Flicker
 Physical Review B 90, 184105 (2014).
 Link to PRB (subscription needed)

Quantum oscillations in the kinetic energy density: Gradient corrections from the Airy gas

Using the electron localization function to correct for confinement physics in semilocal density functional theory

Atomistic Simulation of Orientation Dependence in Shockinduced Initiation of Pentaerythritol Tetranitrate

Fundamental issues in the representation and propagation of uncertain equation of state information in shock hydrodynamics

Some Practical Considerations for Density Functional Theory Studies of Chemistry at Metal Surfaces

Rudolph J. Magyar, Ann E. Mattsson, and Peter A. Schultz
 Chapter 6 (pages 163199) in Metallic Systems: A Quantum Chemist's Perspective
 Edited by Thomas C. Allison, Orkid Coskuner, and Carlos A. Gonzalez
 Published May 2011
 Link to CRC Press

Highperformance computing for materials design to advance energy science

Subsystem functionals and the missing ingredient of confinement physics in density functionals

Modeling and Simulation of Nuclear Fuel Materials

Ram Devanathan, Laurent Van Brutzel, Alain Chartier, Christine Guéneau, Ann E. Mattsson, Veena Tikare, Timothy Bartel, Theodore Besmann, Marius Stan, Paul Van Uffelen
 Energy Environ. Sci., 3, 1406 (2010).
 Link to Energy Environ. Sci. (subscription needed)

Calculating Hugoniots For Molecular Crystals From First Principles

The subsystem functional scheme: The ArmientoMattsson 2005 (AM05) functional and beyond

Calculation of chemical reaction energies using the AM05 density functional

Quantifying the anomalous selfdiffusion in molybdenum with firstprinciples simulations

Implementing and testing the AM05 spin density functional

The AM05 density functional applied to the water molecule, dimer, and bulk liquid

Comment on "Restoring the DensityGradient Expansion for Exchange in Solids and Surfaces"

Electronic surface error in the Si interstitial formation energy

The AM05 density functional applied to solids

Ann E. Mattsson, Rickard Armiento, Joachim Paier, Georg Kresse, John M. Wills, and Thomas R. Mattsson
 Journal of Chemical Physics 128, 084714 (2008).

Link to JCP (Free Access)

Nonequivalence of the generalized gradient approximations PBE and PW91

Functional designed to include surface effects in selfconsistent density functional theory

Designing meaningful density functional theory calculations in materials sciencea primer

Equation of state for a highdensity glass

Ann E. Mattsson

Shock Compression of Condensed Matter2003, pages 743746
edited by M.D. Furnish, Y.M. Gupta, and J.W. Forbes
(AIP CP706, 2004).

SAND20032769C

Alternative separation of exchange and correlation in densityfunctional theory

In Pursuit of the "Divine" Functional

Subsystem functionals in density functional theory: investigating the exchange energy per particle

Computing Accurate Surface Energies and the Importance of Electron SelfEnergy in Metal/MetalOxide Adhesion

Calculating the vacancy formation energy in metals: Pt, Pd, and Mo

An energy functional for surfaces

Ann E. Mattsson and Walter Kohn

Journal of Chemical Physics 115, 3441 (2001).
Copyright (2001) American Institute of Physics. This article may be downloaded for personal use only.
Any other use requires prior permission of the author and the American Institute of Physics.

The following article appeared in Journal of Chemical Physics 115, 3441 (2001) and reprints may be found here.

Vacancies in Metals: From FirstPrinciples Calculations to Experimental
Data

Karin Carling, Göran Wahnström, Thomas R. Mattsson, Ann E. Mattsson,
Nils Sandberg, and Göran Grimvall

Physical Review Letters 85, 3862 (2000).

Link to PRL (subscription needed)

Spectral Properties of a Luttinger Liquid with Boundaries at Finite
Temperature and Size

Correlation Functions of Interacting Fermions at Finite Temperature
and Size

Antiferromagnets and Luttinger Liquids: Two Strongly Correlated Systems

Boundary Effects on Spectral Properties of Interacting Electrons in
One Dimension

Spin dynamics of the triangular Heisenberg antiferromagnet: A Schwingerboson
approach

TwoDimensional Antiferromagnetism: From Schwinger Bosons to Spin Waves

Ann Mattsson

Licentiate thesis, Göteborg 1994.

Frustrated honeycomb Heisenberg antiferromagnet: A Schwingerboson approach
