https://www.selleckchem.com/pr....oducts/stf-083010.ht
We present results demonstrating robust retention of accuracy versus both experiment and full ph-AFQMC for a variety of test cases chosen for their potential difficulty for localized-orbital-based methods, including the singlet-triplet gaps of the polyacenes benzene through pentacene, the heats of formation for a set of Platonic hydrocarbon cages, and the total energy of ferrocene, Fe(Cp)2. Finally, we reproduce our previous result for the gas-phase ionization energy of Ni(Cp)2, agreeing with full ph-AFQMC to within statistical error
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