Publications
-
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 163-199) 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
- High-performance computing for materials design to advance energy science
- Guest editors: Mark T. Lusk and Ann E. Mattsson
- MRS Bulletin Volume 36 Issue 03 (March 2011).
- Link to MRS (subscription needed)
- Editorial: Mark T. Lusk and Ann E. Mattsson
- MRS Bulletin 36, 169-174 (2011).
- Link to MRS (subscription needed)
- Subsystem functionals and the missing ingredient of confinement physics in density functionals
- Feng Hao, Rickard Armiento, and Ann E. Mattsson
- Physical Review B 82, 115103 (2010).
- Link to PRB (subscription needed)
- 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
- Ann E. Mattsson, Ryan R. Wixom, and Thomas R. Mattsson
- Presented at the 14th International Detonation Symposium as
- Manuscript 52983
- The subsystem functional scheme: The Armiento-Mattsson 2005 (AM05) functional and beyond
- Ann E. Mattsson and Rickard Armiento
- International Journal of Quantum Chemistry 110, 2274 (2010).
- Link to IJQC (subscription needed)
- This DFT09 proceeding is based on this talk
- Calculation of chemical reaction energies using the AM05 density functional
- Richard P. Muller, Ann E. Mattsson, and Curtis L. Janssen
- Journal of Computational Chemistry 31, 1860 (2010).
- Link to Journal of Computational Chemistry
- Link to arXiv (preprint).
- Quantifying the anomalous self-diffusion in molybdenum with first-principles simulations
- Thomas R. Mattsson, Nils Sandberg, Rickard Armiento, and Ann E. Mattsson
- Physical Review B 80, 224104 (2009)
- Link to PRB (subscription needed)
- Implementing and testing the AM05 spin density functional
- Ann E. Mattsson and Rickard Armiento
- Physical Review B 79, 155101 (2009)
- Link to PRB (subscription needed)
- The AM05 density functional applied to the water molecule, dimer, and bulk liquid
- Ann E. Mattsson and Thomas R. Mattsson
- Journal of Chemical Theory and Computation 5, 887 (2009), the Perdew special issue
- Link to JCTC (subscription needed)
- If you do not have a subscription, you can follow this or this link instead. (Please use the link above if you have a subscription)
- Comment on "Restoring the Density-Gradient Expansion for Exchange in Solids and Surfaces"
- Ann E. Mattsson, Rickard Armiento, and Thomas R. Mattsson
- Physical Review Letters 101, 239701 (2008).
- Link to PRL (subscription needed)
- Electronic surface error in the Si interstitial formation energy
- Ann E. Mattsson, Ryan R. Wixom, and Rickard Armiento
- Physical Review B 77, 155211 (2008).
- Link to PRB (subscription needed)
- 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
- Ann E. Mattsson, Rickard Armiento, Peter A. Schultz, and Thomas R. Mattsson
- Physical Review B 73, 195123 (2006).
- Link to PRB (subscription needed)
- Functional designed to include surface effects in self-consistent density functional theory
- Rickard Armiento and Ann E. Mattsson
- Physical Review B 72, 085108 (2005).
- Link to PRB (Free Access)
- Designing meaningful density functional theory calculations in materials science---a primer
- Ann E. Mattsson, Peter A. Schultz, Michael P. Desjarlais, Thomas R. Mattsson, and Kevin Leung
- Modelling Simul. Mater. Sci. Eng. 13 R1-R31 (2005).
- Link to Modelling and Simulation in Materials Science and Engineering.
- Equation of state for a high-density glass
- Ann E. Mattsson
-
Shock Compression of Condensed Matter-2003, pages 743-746
edited by M.D. Furnish, Y.M. Gupta, and J.W. Forbes
(AIP CP706, 2004). - SAND2003-2769C
- Alternative separation of exchange and correlation in density-functional theory
- Rickard Armiento and Ann E. Mattsson
- Physical Review B 68, 245120 (2003).
- Link to PRB (subscription needed)
- In Pursuit of the "Divine" Functional
- Ann E. Mattsson
- Science 298, 759 (25 October 2002).
- Nice html (with links) at Science Magazine
- Summary at Science Magazine.
- Subsystem functionals in density functional theory: investigating the exchange energy per particle
- Rickard Armiento and Ann E. Mattsson
- Physical Review B 66, 165117 (2002).
- Link to PRB (subscription needed)
- Computing Accurate Surface Energies and the Importance of Electron Self-Energy in Metal/Metal-Oxide Adhesion
- Ann E. Mattsson and Dwight R. Jennison
- Surface Science Letters 520, L611 (2002).
- Link to Surface Science (subscription needed).
- Surface Science has an Editorial and a Perspective discussing our paper.
- Chemical and Engineering News ran a story on this paper. (Nov. 11, 2002, page 15).
- Chemical and Engineering News has selected this work to be one of the nine materials Chemical Highlights of 2002. (Dec. 16, 2002, pages 43-44)
- Calculating the vacancy formation energy in metals: Pt, Pd, and Mo
- Thomas R. Mattsson and Ann E. Mattsson
- Physical Review B 66, 214110 (2002).
- Link to PRB (subscription needed)
- 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 First-Principles 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)
- Edge Electron Gas
- Walter Kohn and Ann E. Mattsson
- Physical Review Letters 81, 3487 (1998).
- Link to PROLA (subscription needed)
- cond-mat/9806154 (low resolution figures)
- Spectral Properties of a Luttinger Liquid with Boundaries at Finite Temperature and Size
- Ann E. Mattsson, Sebastian Eggert, and Henrik Johannesson
- Physical Review B 56, 15615 (1997).
- Link to PROLA (subscription needed)
- cond-mat/9711204
- Correlation Functions of Interacting Fermions at Finite Temperature and Size
- Sebastian Eggert, Ann E. Mattsson and Jari Kinaret
- Physical Review B 56, R15537 (1997).
- Link to PROLA (subscription needed)
- cond-mat/9705157
- Antiferromagnets and Luttinger Liquids: Two Strongly Correlated Systems
- Ann Mattsson
- Doctoral thesis, Göteborg (1997)
- PostScript file
- Boundary Effects on Spectral Properties of Interacting Electrons in One Dimension
- Sebastian Eggert, Henrik Johannesson, and Ann Mattsson
- Physical Review Letter 76, 1505 (1996).
- Link to PROLA (subscription needed)
- cond-mat/9511046
- Spin dynamics of the triangular Heisenberg antiferromagnet: A Schwinger-boson approach
- Ann Mattsson
- Physical Review B 51, 11574-11579 (1995).
- Link to PROLA (subscription needed)
- cond-mat/9503048
- Two-Dimensional Antiferromagnetism: From Schwinger Bosons to Spin Waves
- Ann Mattsson
- Licentiate thesis, Göteborg 1994.
- Frustrated honeycomb Heisenberg antiferromagnet: A Schwinger-boson approach
- Ann Mattsson, Per Fröjdh, and Torbjörn Einarsson
- Physical Review B 49, 3997-4002 (1994).
- Link to PROLA (subscription needed)
- cond-mat/9310063 (a little bit messy, sorry!)
