Ab initio calculations of the electronic structure and magnetic properties of two-dimensional...

Study of local properties of substitutional impurities "FE" to "DP", "SC", "Y", "IT"...

Self consistent method of first-principles calculations with spin-polarization in...

Study of vacancies in Cu and Al

lmto-wing parameterization in the electronic structure calculation of transition...

Study of Local Properties in Interstitial Impurities in Metalic Hosts

Self-consistent calculation of electronic structure in direct space

Calculation method of the electric field gradient in core for systems without s...

Application of recurrence method for calculating the electric field gradient in the...