Artificial Neural Networks as Trial Wave Functions for Quantum Monte Carlo
Abstract
Inspired by the universal approximation theorem and widespread adoption of artificial neural network techniques in a diversity of fields, we propose feed-forward neural networks as a general purpose trial wave function for quantum Monte Carlo simulations of continous many-body systems. Whereas for simple model systems the whole many-body wave function can be represented by a neural network, the antisymmetry condition of non-trivial fermionic systems is incorporated by means of a Slater determinant. To demonstrate the accuracy of our trial wave functions, we have studied an exactly solvable model system of two trapped interacting particles, as well as the hydrogen dimer.
- Publication:
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arXiv e-prints
- Pub Date:
- April 2019
- arXiv:
- arXiv:1904.10251
- Bibcode:
- 2019arXiv190410251K
- Keywords:
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- Physics - Computational Physics
- E-Print:
- Bump to the submitted&