Lv5
1310 积分 2022-06-02 加入
Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set
24天前
已完结
Direct minimization technique for metals in density functional theory
24天前
已完结
Theory of polarization-averaged core-level molecular-frame photoelectron angular distributions: III. New formula for p- and s-wave interference analogous to Young’s double-slit experiment for core-level photoemission from hetero-diatomic molecules
1个月前
已完结
First-principles calculation of the equilibrium ground-state properties of transition metals: Applications to Nb and Mo
1个月前
已完结
Fractional occupations and density-functional energies and forces
1个月前
已完结
Calculation of the vacancy formation energy in aluminium
1个月前
已完结
Thermal Properties of the Inhomogeneous Electron Gas
1个月前
已完结
Thermal Contraction and Disordering of the Al(110) Surface
1个月前
已完结
Fermi energy determination for advanced smearing techniques
1个月前
已完结
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