有限核の効果を考慮した精度の高い相対論的ガウス型基底関数をHからLrに対して開発した．3次Douglas-Kroll法により相対論的効果を考慮した．当日は今回開発した基底関数による幾つかの応用結果もあわせて示す．

We have developed accurate relativistic Gaussian basis sets for H through Lr with the finite nucleus model. The relativistic effect is considered by the third-order Dougras-Kroll method. Some applications with present basis sets will be presented.