Electronic structures and hydrogen bond network of high-density and very high-density amorphous ices

Electronic structures of hexagonal ice, high density amorphous ice (HDA) and very high-density amorphous ice (VHDA) are investigated using ab initio density functional theory. The result can be used to interpret the physical nature of the transition temperature of HDA and VHDA to low density amorphous ice (LDA) with different heating rates.