▼Development of new ab initio schemes for multicomponent systems
Ab initio multi component molecular orbital (MC_MO) method
We have extended the concept of molecular orbital to the motion of proton or positron.
![MC_MO](../images/reseach/mcmo1.png)
Ab initio path integral simulation (PI) method
We have achieved full quantum treatment of molecular systems by using ab initio method and path integral technique for electron and nuclei, respectively.
![PIMD](../images/reseach/pimd1.png)
Ab initio multi component quantum Monte Carlo (MC_QMC) method
We have also extended quantum Monte Carlo (QMC) method, one of the most accurate ab initio method, to the multicomponent systems.
![MC_MO](../images/reseach/qmc1.png)