近日，美国密歇根州立大学的Dean Lee及其研究团队取得一项新进展。经过不懈努力，他们提出求解量子多体问题的波函数匹配方法。相关研究成果已于2024年5月15日在国际权威学术期刊《自然》上发表。

据悉，从头计算在人们对量子多体系统的基本理解中起着至关重要的作用，这些系统跨越了许多子领域，从强相关费米子到量子化学，从原子和分子系统到核物理。其中一个主要的挑战在于构建精确的计算系统，该系统中的相互作用错综复杂，使得选择恰当的计算方法变得尤为困难。

该研究团队通过引入一种称为波函数匹配的方法来解决这个问题。波函数匹配变换了粒子间的相互作用，使得波函数在有限范围内与易于计算的相互作用相匹配。这一方法突破了计算系统的局限，克服了如蒙特卡洛符号取消等问题，使原本无法进行的计算成为可能。研究人员成功地将该方法应用于轻核、中质量核、中子物质和核物质的晶格蒙特卡罗模拟中。他们采用了高保真度的手性有效场理论相互作用，所得结果与经验数据高度吻合。这些成果不仅为核相互作用提供了新的见解，而且有望解决在从头计算中精确再现核结合能、电荷半径和核物质饱和度的长期难题。

附：英文原文

Title: Wavefunction matching for solving quantum many-body problems

Author: Elhatisari, Serdar, Bovermann, Lukas, Ma, Yuan-Zhuo, Epelbaum, Evgeny, Frame, Dillon, Hildenbrand, Fabian, Kim, Myungkuk, Kim, Youngman, Krebs, Hermann, Lhde, Timo A., Lee, Dean, Li, Ning, Lu, Bing-Nan, Meiner, Ulf-G., Rupak, Gautam, Shen, Shihang, Song, Young-Ho, Stellin, Gianluca

Issue&Volume: 2024-05-15

Abstract: Ab initio calculations have an essential role in our fundamental understanding of quantum many-body systems across many subfields, from strongly correlated fermions to quantum chemistry and from atomic and molecular systems to nuclear physics. One of the primary challenges is to perform accurate calculations for systems where the interactions may be complicated and difficult for the chosen computational method to handle. Here we address the problem by introducing an approach called wavefunction matching. Wavefunction matching transforms the interaction between particles so that the wavefunctions up to some finite range match that of an easily computable interaction. This allows for calculations of systems that would otherwise be impossible owing to problems such as Monte Carlo sign cancellations. We apply the method to lattice Monte Carlo simulations of light nuclei, medium-mass nuclei, neutron matter and nuclear matter. We use high-fidelity chiral effective field theory interactions and find good agreement with empirical data. These results are accompanied by insights on the nuclear interactions that may help to resolve long-standing challenges in accurately reproducing nuclear binding energies, charge radii and nuclear-matter saturation in ab initio calculations.

DOI: 10.1038/s41586-024-07422-z

Source: https://www.nature.com/articles/s41586-024-07422-z