Auxiliary-Field Quantum Monte Carlo
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The AFQMC library aims to provide a comprehensive software environment using auxiliary-field quantum Monte Carlo, broadly defined, to study quantum many-fermion systems.
The library will contain a suite of software for
1. correlated electron models and ultracold fermionic atom systems
2. molecular calculations treating standard quantum chemistry Hamiltonians (for example, using Gaussian basis sets)
3. ab initio calculations in extended systems with planewaves and pseudopotentials