Titlebook: Interatomic Potential and Structural Stability; Proceedings of the 1 Kiyoyuki Terakura,Hisazumi Akai Conference proceedings 1993 Springer-V

vitamin-D

書目名稱Interatomic Potential and Structural Stability影響因子(影響力)




書目名稱Interatomic Potential and Structural Stability影響因子(影響力)學(xué)科排名




書目名稱Interatomic Potential and Structural Stability網(wǎng)絡(luò)公開度




書目名稱Interatomic Potential and Structural Stability網(wǎng)絡(luò)公開度學(xué)科排名




書目名稱Interatomic Potential and Structural Stability被引頻次




書目名稱Interatomic Potential and Structural Stability被引頻次學(xué)科排名




書目名稱Interatomic Potential and Structural Stability年度引用




書目名稱Interatomic Potential and Structural Stability年度引用學(xué)科排名




書目名稱Interatomic Potential and Structural Stability讀者反饋




書目名稱Interatomic Potential and Structural Stability讀者反饋學(xué)科排名

IST

Conjugate-Gradient Total-Energy Minimization: Defects in Silicon to perform large-scale calculations containing up to 216 atoms in a unit cell. The results provide rich information about the microscopic origins of the structural and electronic properties of defects in Si.

治愈

Structural Trends in Clusters and Disordered Systemsructures of clusters and extended systems of the same element, with selenium and phosphorus as examples, (b) The relationship between the structures of different elements of the same main group. Examples are taken from groups IIIa (Al, Ga), Va (P, As) and VIa (S, Se).

Dawdle

Structural and Vibrational Properties of Alkali Overlayers on Metalsecrease in the A-S stretching frequency. The dynamical charge associated with the A-S stretching mode decreases with increasing θ much more rapidly than the static adatom dipole moment, which is in agreement with the recent electron energy loss experiments.

向外

膽小鬼

Ab Initio Effective-Medium Theory for Altationally efficient. The approximations all rely strongly on the variational properties of the total-energy functional. The method is tested for various bulk and surface properties of Al, and is found to be superior to the usual effective-medium theory and related methods.

極小量

委托

庇護(hù)

Phase Diagram for Long Period Stacking Variants with the present results to show that an experimental observation of long period stacking variants yields a certain amount of information about the interactions. The possibility of finding new structures is also discussed.

Jargon

Conference proceedings 1993s is contained in thisvolume. Most of the first-principles calculations are basedon the local-density approximation (LDA). In contrast, thisvolume contains very recent results of "going beyond LDA",such as the density gradient expansion and the quantumMonte-Carlomethod.Following the recently introdu