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cond-mat.mtrl-sci2020★ 5 cited
Equation of state of atomic solid hydrogen by stochastic many-body wave function methods
Sam Azadi, George H. Booth, Thomas D. Kühne
We report a numerical study of the equation of state of crystalline body-centered-cubic (BCC) hydrogen, tackled with a variety of complementary many-body wave function methods. The…
cond-mat.mtrl-sci2019★ 88 cited
Direct comparison of many-body methods for realistic electronic Hamiltonians
Kiel T. Williams, Yuan Yao, Jia Li +22
A large collaboration carefully benchmarks 20 first principles many-body electronic structure methods on a test set of 7 transition metal atoms, and their ions and monoxides. Good…