First Principles Methods: A Perspective from Quantum Monte Carlo

First Principles Methods: A Perspective from Quantum Monte Carlo

Quantum Monte Carlo methods are among the most accurate algorithms for predicting properties of general quantum systems. We briefly introduce ground state, path integral at finite temperature and coupled electron-ion Monte Carlo methods, their merits and limitations. We then discuss recent calculati...

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Bibliographic Details
Main Authors: Miguel A. Morales, Raymond Clay, Carlo Pierleoni, David M. Ceperley
Format: Article
Language:English
Published: MDPI AG 2013-12-01
Series:Entropy
Subjects:
quantum Monte Carlo
first-principles simulations
hydrogen
Coupled Electron-Ion Monte Carlo
high pressure
Online Access:http://www.mdpi.com/1099-4300/16/1/287

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