2017 年 16 巻 4 号 p. 91-92
We present a clear equation and a simple display method to analyze theoretically the spin density induced by an external static magnetic field in closed-shell molecules containing heavy atoms (Xe and HI). We showed that the magnitude of the spin density in a heavy-atom-light-atom (HALA) system is proportional to the mixing of the opposite spin orbital caused by the spin-orbit interaction.