- Alleviation of the Fermion-sign problem by optimization of many-body wave functions
- Wave function optimization in the variational Monte Carlo method
I'd also add these to the pile of papers to read and understand:
- Optimization of quantum Monte Carlo wave functions by energy minimization
- A simple and efficient approach to the optimization of correlated wave functions
And since this post is alread about VMC optimization, some further questions:
- What about simultaneous geometry and parameter optimization?
- The focus seems to be on single geometries - what's likely more interesting in the future is a family of geometries - has anyone parameterized the VMC parameters (by the bond lengths or nuclear coordinates)?
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