1 citations · 1 across the 4 of their papers we have counts for
4 papers
Superconducting phase diagram of multi-layer square-planar nickelates
Grace A. Pan, Dan Ferenc Segedin, Sophia F. R. TenHuisen +21
The discovery of superconductivity in square-planar nickelates has offered a rich materials platform to explore the origins of cuprate-like superconductivity. Experimental investig…
Theoretical study on the core-excited states of the allyl using CVS-icMRCISD method
Qi Song, Junfeng Wu, Wenli Zou +2
The allyl radical (C3H5) is a well-characterized hydrocarbon radical, renowned for its pivotal role as an intermediate species in high-energy environments. Its core excited states…
Enhancing carrier transfer properties of Na-rich anti-perovskites, Na4OM2 with tetrahedral anion groups: an evaluation through first-principles computational analysis
Shenglin Xu, Qinfu Zhao, Ronglan Zhang +2
The practical application of Na-based solid-state electrolytes (SSEs) is limited by their low level of conduction. To evaluate the impact of tetrahedral anion groups on carrier mig…
GUGA-based MRCI approach with Core-Valence Separation Approximation (CVS) for the calculation of the Core-Excited States of molecules
Qi Song, Baoyuan Liu, Junfeng Wu +4
We develop and demonstrate how to use the GUGA-based MRCISD with Core-Valence Separation approximation (CVS) to compute the core-excited states. Firstly, perform a normal SCF or va…