Pseudopotentials that work: From H to Pu

Keywords

Pseudopotential, Context (archaeology), Set (abstract data type), Wave function, Work (physics)

References

• Ground State of the Electron Gas by a Stochastic MethodDavid M. Ceperley, B. J. Alder — 1980
• Crystal Potential and Energy Bands of Semiconductors. III. Self-Consistent Calculations for SiliconLeonard Kleinman, J. C. Phillips — 1960

Cited by

• Globally-Optimized Local Pseudopotentials for (Orbital-Free) Density Functional Theory Simulations of Liquids and Solids.María Gabriela Rebok — 2017
• Adsorption of GeH2 on the Si(001) surfaceM. Çakmak, G. P. Srivastava — 2001
• Electron Density Calculations for Crystals with a NaCl LatticeYu. N. Zhuravlev, Yu. M. Basalaev, А. С. Поплавной — 2001
• Propriétés structurales et électroniques d'agrégats CuOn (n=1-6) et du composé solide Cu2(OH)3(NO3) : une étude par la fonctionnelle de densitéYann Pouillon — 2002
• Electronic structure of cluster-assembled Al12C (Si) solidQuan Hong-jun, Xingao Gong — 2000
• First principles pseudopotential calculations on aluminum and aluminum alloysJ. Davenport, N. Chetty, R. Marr — 1993
• The Role of Sublattices in Chemical Bonding in Essentially Ionic CrystalsYu. N. Zhuravlev, А. С. Поплавной — 2001
• Développement de techniques numériques pour l'estimation, la modélisation et la prédiction de propriétés thermodynamiques et structurales de systèmes métalliques à fort ordonnancement chimiqueJ. Harvey — 2012
• 第一原理計算の諸条件：サンプル k点，カットオフ・エネルギー，擬ポテンシャルJun Yamauchi — 2007
• A THEORETICAL STUDY OF INTERACTION OF NANOPARTICLES WITH BIOMOLECULEChunhui Liu — 2014
• Ab-initio design of bulk materials assembled with silicon clustersCarlos Reis — 2011
• Mécanismes d'ionisation de systèmes libres en lumière extrême décrits par la théorie de la fonctionnelle de la densité dépendante du tempsS. Vidaĺ — 2011
• Electronic structure of CuN3(I)A. B. Gordienko, А. С. Поплавной — 2006
• Optical properties of the 11-cis retinal molecule from time-dependent density functional theoryNkululeko Nokwara — 2010
• The Role of Sublattices in Chemical Bonding in Molecular Ion CrystalsYu. N. Zhuravlev, А. С. Поплавной — 2001
• The lattice dynamics of lead chalcogenidesOndřej Kilián, WIRTZ, Ludger, VEIS, Pavel — 2011
• First principles studies of Si-C alloysR. C. Andrew — 2013
• Application of the Sublattice Method to Analysis of the Chemical Bond in the Peroxides of Alkali MetalsYu. N. Zhuravlev, Yu. M. Basalaev, A. S. Poplavnoi — 2003
• Ab Initio calculation on the structure and elastic properties of a magnesium-lithium alloyTokuteru Uesugi, Masanori Kohyama, Masahide Kohzu — 2001
• Bulk and surface structure of k aluminaCarlo Ruberto — 1998

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