Quantum Monte Carlo Calculations for Solids Using SpecialPoints Methods
Open Access
- 3 October 1994
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review Letters
- Vol. 73 (14) , 1959-1962
- https://doi.org/10.1103/physrevlett.73.1959
Abstract
We describe a quantum Monte Carlo method for calculating the electronic properties of solids using wave functions with nonzero wave vectors. Our method uses the idea of "special k points" derived from band structure theory, and leads to greatly improved accuracy for insulating systems. We illustrate our method with calculations on germanium in the diamond structure.Keywords
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