Orthorhombic LiFePO4 (LFP) offers highly reversible redox reactions, making it an attractive cathodic material for lithium-ion batteries. This electrochemical property was exploited to develop an ...
In this work, we combine the many-body formulation of the internally contracted multireference coupled cluster (ic-MRCC) method with Evangelista’s multireference formulation of the driven similarity ...
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