A Review of: “Electronic Structure: Basic Theory and Practical Methods”

By W. Reitz. 2006

1,435 citations recorded by the source corpus.

Subfields: Computational Theory and Mathematics, Physical and Theoretical Chemistry

View Paper: https://www.semanticscholar.org/paper/47febb36c9eae7f89e9b56dc5ca5407c10679587

How researchers see this paper

The researchers whose trusted networks rank it highest, strongest advocate first. Every researcher gets a different order.

In Computational Theory and Mathematics

1. Marvin L. Cohen
2. Bo Xu
3. Georgy Samsonidze
4. James W. Palko
5. Steven G. Louie
6. Shiwei Zhang
7. Manish Jain
8. Jack R. Deslippe

In Physical and Theoretical Chemistry

1. Marvin L. Cohen
2. Bo Xu
3. Gang Chen
4. Georgy Samsonidze
5. James W. Palko
6. Steven G. Louie
7. Shiwei Zhang
8. Manish Jain

Citations in the corpus

• Advances in thermoelectrics (2018, background): “Development of the first-principles simulations [487,488] throughout the past decades has now made it routine to look for features that are favorable for thermoelectrics materials (e.”
• BerkeleyGW: A massively parallel computer package for the calculation of the quasiparticle and optical properties of materials and nanostructures (2011, methodology): “The package is intended to be used on top of a number of mean-field (DFT and other) codes that focus on ground-state properties, such as PARATEC [11], Quantum ESPRESSO [12], SIESTA [13], PARSEC [14,15], Octopus [49,50] and an empirical pseudopotential code (EPM) included in the package (based on TBPW”
• Hybrid exchange-correlation functional for accurate prediction of the electronic and structural properties of ferroelectric oxides (2008, background): “It is also well known that the LDA and GGA usually lead to a significant underestimation of the band gaps of the Kohn-Sham electronic band structure (often by as much as a 50 %).[12] This does not a priori constitute an intrinsic failure: Kohn-Sham particles are fictitious independent particles resu”
• Reduced Bloch mode expansion for periodic media band structure calculations (2008, methodology): “There are numerous techniques for this category of periodic media and their classification is beyond the scope of this paper (see Martin (2004) and”
• Optical Abelian Lattice Gauge Theories (2012, background): “In all these cases, indeed, there is a small parameter – namely the interaction among constituents– that can at the beginning be neglected and then systematically included in the model [1, 2].”
• Displacement Damage Effects in Irradiated Semiconductor Devices (2013, methodology): “DFT analyses have been applied to extended displacement-induced defects such as amorphous regions [324], but the distortion of the DFT band structure may cause some difficulty in understanding the action of the defect levels.”
• Microscopic theory of hardness and design of novel superhard crystals (2012, background): “The first-principles calculations of elastic constants are now routine, and the conversions to shear or bulk moduli for all crystal classes are well known [64,65].”