Renjun Xu

Ab initio investigation of optical properties of high-pressure phases of ice (2007)

Xu, Renjun, Liu, Zhiming, Ma, Yanming, Cui, Tian, Liu, Bingbing, Zou, Guangtian

We report a detailed ab initio investigation on the optical properties of ice under a wide high pressure range. The ice X phase (up to 380GPa), the theoretical proposed higher pressure phase ice XV...

Ab initio investigation of hydrogen bonding and electronic structure of high-pressure phases of ice (2007)

Xu, Renjun, Liu, Zhiming, Ma, Yanming, Cui, Tian, Liu, Bingbing, Zou, Guangtian

We report a detailed ab initio investigation on hydrogen bonding, geometry, electronic structure, and lattice dynamics of ice under a large high pressure range, including the ice X phase (55-380GPa),...

Alternative Mathematical Technique to Determine LS Spectral Terms (2005)

Xu, Renjun, Dai, Zhenwen

We presented an alternative computational method for determining the permitted LS spectral terms arising from $l^N$ electronic configurations. This method makes the direct calculation of LS terms...