We determine equation of state of stoichiometric FeO by employing the diffusion Monte Carlo method. The fermionic nodes of the many-body wave function are fixed by a single Slater determinant of one-particle orbitals extracted from spin-unrestricted Kohn-Sham equations utilizing a hybrid exchange-co
✦ LIBER ✦
Quantum Monte Carlo Calculations of Structural Properties of FeO Under Pressure
✍ Scribed by Kolorenč, Jindřich; Mitas, Lubos
- Book ID
- 127114588
- Publisher
- The American Physical Society
- Year
- 2008
- Tongue
- English
- Weight
- 207 KB
- Volume
- 101
- Category
- Article
- ISSN
- 0031-9007
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