Ab initio Quantum Monte Carlo Calculations of Spin Superexchange in Cuprates: The Benchmarking Case of Ca_{2}CuO_{3}
In view of the continuous theoretical efforts aimed at an accurate microscopic description of the strongly correlated transition metal oxides and related materials, we show that with continuum quantum Monte Carlo (QMC) calculations it is possible to obtain the value of the spin superexchange couplin...
| Main Authors: | , , , , , |
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| Format: | Article |
| Language: | English |
| Published: |
American Physical Society
2014-07-01
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| Series: | Physical Review X |
| Online Access: | http://doi.org/10.1103/PhysRevX.4.031003 |