Fixed node diffusion Monte Carlo energies for over one thousand small organic...

In the past decade, quantum diffusion Monte Carlo (DMC) has been demonstrated to successfully predict the energetics and properties of a wide range of molecules and solids by...在过去十年间，量子扩散蒙特卡洛（Quantum Diffusion Monte Carlo，DMC）已被证实可通过……成功预测多种分子与固体的能量学特性及各类物理性质。