Abstract
Quantum Monte Carlo methods can calculate exact or nearly exact ground state properties of many body systems. The subject of this paper is a brief outline of some of the current developments in applying such methods to general materials and results of recent calculations. A critical issue which we discuss is the accurate treatment of core electrons, which is crucial to ab initio calculations on materials.
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Martin, R.M. et al. (1993). Quantum Monte-Carlo Calculations on Real Materials. In: Terakura, K., Akai, H. (eds) Interatomic Potential and Structural Stability. Springer Series in Solid-State Sciences, vol 114. Springer, Berlin, Heidelberg. https://doi.org/10.1007/978-3-642-84968-8_19
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DOI: https://doi.org/10.1007/978-3-642-84968-8_19
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