2000 character limit reached
Ab Initio Electronic Structure Calculations by Auxiliary-Field Quantum Monte Carlo (1807.06688v1)
Published 17 Jul 2018 in cond-mat.str-el and cond-mat.mtrl-sci
Abstract: The auxiliary-field quantum Monte Carlo (AFQMC) method provides a computational framework for solving the time-independent Schroedinger equation in atoms, molecules, solids, and a variety of model systems by stochastic sampling. We introduce the theory and formalism behind this framework, briefly discuss the key technical steps that turn it into an effective and practical computational method, present several illustrative results, and conclude with comments on the prospects of ab initio computation by this framework.
Paper Prompts
Sign up for free to create and run prompts on this paper using GPT-5.
Top Community Prompts
Collections
Sign up for free to add this paper to one or more collections.