An Approximate Band Calculation by the Augmented Palne-Wave Method
スポンサーリンク
概要
- 論文の詳細を見る
A rapid and practical scheme for approximate evaluation of energy levels and wave functions is derived by applying the computational procedures proposed by Hubbard to the augmented plane-wave method. For body-centered cubic and face-centered cubic iron, numerical results about energy levels are shown and compared with the results of Wood. Some estimations about the orthonormality of the set of eigenfunctions are also presented.
- 山梨大学の論文