从头算驱动的能量密度泛函方法。非对角EDF内核的安全/相关/可改进参数化建议
Ab initio-driven nuclear energy density functional method. A proposal for safe/correlated/improvable parametrizations of the off-diagonal EDF kernels
摘要：
这篇纲领性的论文提出了一种可能性，即在不严格执行泡利原理的情况下，安全的多参考能量密度泛函（EDF）计算无法实现，例如当多体相关性以经验密度依赖的形式参数化时，可以调和将多体相关性恢复到能量核中的必要性。我们的建议是利用一个新开发的从头算多体形式主义，以指导建设安全的，明确相关的和系统可改进的参数化的{ \it非对角}能源和规范内核，位于核EDF方法的核心。感兴趣的多体形式主义依赖于对称性破缺{ \it}和恢复的概念，这些概念为核EDF方法带来了财富，因此，服从于这一指导。在详细阐述我们的建议后，我们简要介绍了我们计划在未来几年执行的项目。
英文摘要：
This programmatic paper lays down the possibility to reconcile the necessity to resum many-body correlations into the energy kernel with the fact that safe multi-reference energy density functional (EDF) calculations cannot be achieved whenever the Pauli principle is not strictly enforced, as is for example the case when many-body correlations are parametrized under the form of empirical density dependencies. Our proposal is to exploit a newly developed ab initio many-body formalism to guide the construction of safe, explicitly correlated and systematically improvable parametrizations of the {\it off-diagonal} energy and norm kernels that lie at the heart of the nuclear EDF method. The many-body formalism of interest relies on the concepts of symmetry breaking {\it and} restoration that have made the fortune of the nuclear EDF method and is, as such, amenable to this guidance. After elaborating on our proposal, we briefly outline the project we plan to execute in the years to come.
机构、总结、中文摘要均由AI分析而来，可能存在错误，请以论文正文为准。
