Energetics and dipole moment of transition metal monoxides by quantum Monte Carlo
Author:
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://aip.scitation.org/doi/pdf/10.1063/1.2428294
Reference21 articles.
1. The performance of semilocal and hybrid density functionals in 3d transition-metal chemistry
2. Theoretical study of the first transition row oxides and sulfides
3. Applications of the generalized gradient approximation to ferroelectric perovskites
4. Electronic structure and lattice relaxation related to Fe in MgO
5. A quantum Monte Carlo study of electron correlation in transition metal oxygen molecules
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