Electronic Structure Group 
Condensed Matter Theory - UIUC

Electronic Structure: Basic Theory and Practical Methods
Richard M. Martin, Cambridge University Press (2004)

ElectronicStructure.org
Resources for Electronic Structure

First-principles calculations show that a monoatomic chain of gold atoms, like those found in very recent scanning tunneling microscope experiments, adopts an zig-zag configuration.   This zig-zag shape is stable even when the chain is stretched, and the wire only becomes linear very close to the breaking point. The barrier for the rotation is very small ( a few cents of eV ), so the wire can spin around its axis at room temperature. This rotation could explain the extremely long bond lengths (4-5 Angstroms) observed by high resolution electron microscopy: only those atoms closer to the axis would be visualized, while the others will give very fuzzy images than could be missed.

Summer School in Electronic Structure (2005)

• Density-Functionals.
• Linear Scaling Methods.
• Real Space Methods in Electronic Structure.
• Quantum Monte Carlo Methods

• Polarization and Berry's Phase in Crystals.
• Density-Polarization Theory of Dielectrics
• Lattice QMC for Interacting Electrons in AxC60.
• QMC on 2D electron gas.
• Wavelets in Electronic Structure Methods.
• Hydrogen at high pressure.
• Carbon at high pressure and temperature.
• Quantitative Calculations on Quantum Dots in Semiconductors.
• Hydrogen at Silicon Surfaces and Interfaces.
• Hydrogen bonding described by density functionals

This material is based upon work supported by the National Science Foundation under Grant No. DMR 9802373. Any opinions, findings and conclusions or recomendations expressed in this material are those of the author(s) and do not necessarily reflect the views of the National Science Foundation (NSF).

This material is based upon work supported by the Department of Energy under Grant No. DEFG-02-96-ER45439. Any opinions, findings and conclusions or recomendations expressed in this material are those of the author(s) and do not necessarily reflect the views of the Department of Energy (DOE).

Department of Physics Home page