most citedAccurate X-Ray Absorption Predictions for Transition Metal Oxides: An Advanced Self-Consistent-Field Approach Inspired by Many-Body Perturbation Theory

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cond-mat.mtrl-sci2016★ 85 cited

Accurate X-Ray Absorption Predictions for Transition Metal Oxides: An Advanced Self-Consistent-Field Approach Inspired by Many-Body Perturbation Theory

Yufeng Liang, John Vinson, Sri Pemmeraju +3

Constrained-occupancy self-consistent-field (SCF) methods and many-body perturbation theories (MBPT) are two strategies for obtaining electronic excitations from first-principle…