Direct Comparison of Many-Body Methods for Realistic Electronic Hamiltonians
A large collaboration carefully benchmarks 20 first-principles many-body electronic structure methods on a test set of seven transition metal atoms and their ions and monoxides. Good agreement is attained between three systematically converged methods, resulting in experiment-free reference values....
Main Authors: | , , , , , , , , , , , , , , , , , , , , , , , , |
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Format: | Article |
Language: | English |
Published: |
American Physical Society
2020-02-01
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Series: | Physical Review X |
Online Access: | http://doi.org/10.1103/PhysRevX.10.011041 |