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Role of quantum nuclei and local fields in the x-ray absorption spectra of water and ice
Role of quantum nuclei local fields the x-ray absorption spectra of water and ice Chemical Physics
2012/4/19
We calculate the x-ray absorption spectra of liquid water at ambient conditions and of hexagonal ice close to melting, using a static GW approach that includes approximately local field effects. Quant...
Shape coexistence of high-spin isomeric states in proton-rich A~190 nuclei
high-spin isomer shape coexistence configuration-constrained calculation
2009/8/14
High-spin isomeric states in proton-rich A~190 nuclei have been investigated using configuration-constrained calculations of potential-energy surfaces. The calculations reproduce reasonably the experi...