Lv5
1020 积分 2022-06-02 加入
Calculation of the vacancy formation energy in aluminium
13天前
已完结
Method for Calculating Excited Electronic States Using Density Functionals and Direct Orbital Optimization with Real Space Grid or Plane-Wave Basis Set
14天前
已完结
An Introduction to Manifolds
19天前
已完结
Ab initio molecular dynamics with a finite-temperature density functional
23天前
已完结
Convergence Analysis of Direct Minimization and Self-Consistent Iterations
23天前
已完结
A constrained optimization algorithm for total energy minimization in electronic structure calculations
23天前
已完结
Direct minimization technique for metals in density functional theory
23天前
已完结
New algebraic formulation of density functional calculation
23天前
已完结
Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set
2个月前
已完结
Direct minimization technique for metals in density functional theory
2个月前
已完结
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