Neural network variational Monte Carlo for positronic chemistry
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Dataset contains: - Raw outputs from training runs of positronic beryllium oxide raw walker positions obtained from inference runs of positronic beryllium oxide, and histogrammed walker positions. These are used to generate Figure 1 in the manuscript. - Raw walker positions for positronic benzene and binned walker positions for positronic dilithium, which are used to generate Figure 2 in the manuscript. - Jupyter notebooks which generate the figures in the paper from the raw data provided.
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figshare创建时间：
2024-06-19
