相対論的量子化学計算プログラムRAQETの公開

抄録

The "Relativistic And Quantum Electronic Theory (RAQET)" program was released for academic use. One-component (spin-free) and two-component (spin-dependent) relativistic calculations are possible based on the infinite-order Douglas−Kroll−Hess transformation and local unitary transformation. This review describes available features, registration/installation, and input/output of the RAQET program.