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Continuing from the previous chapter, we now aim to replace the approach where “Chap. 3 relied on preprepared mature dough \(\Psi _\alpha \left (\mathbf R\right )\) provided by the instructor” with a method for self-preparation. For Slater-Jastrow-type many-body wave functions, the previous chapter assumed “using a preprepared Slater part” while acquiring the technique to optimize the Jastrow part independently. This chapter explains how to generate the Slater component, “bwfn.data,” by oneself.

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Generating Trial Nodes with a DFT Package

  • 章节

  • 发表日期：

    2026年

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  • Ryo Maezono

摘要

Continuing from the previous chapter, we now aim to replace the approach where “Chap. 3 relied on preprepared mature dough \(\Psi _\alpha \left (\mathbf R\right )\) provided by the instructor” with a method for self-preparation. For Slater-Jastrow-type many-body wave functions, the previous chapter assumed “using a preprepared Slater part” while acquiring the technique to optimize the Jastrow part independently. This chapter explains how to generate the Slater component, “bwfn.data,” by oneself.