利用张量超收缩密度拟合实现O（L^4）CISD算法
Using tensor hypercontraction density fitting to achieve an O(L^4) CISD algorithm
摘要：
最近，Hohenstein等人[1]引入了张量超收缩密度拟合，将秩为4的电子排斥积分张量分解为5个秩为2的张量的乘积。在本文中，我们使用这种方法来构建一个算法，计算近似的基态能量在O（L^4）操作。我们测试我们的方法使用几个小分子，并表明，我们很快接近CISD限制与少量的辅助功能。
英文摘要：
Recently, Hohenstein et al[1] introduced tensor hypercontraction density fitting to decompose the rank-4 electron repulsion integral tensor as the product of five rank-2 tensors. In this paper, we use this methodology to construct an algorithm which calculates the approximate ground state energy in O(L^4) operations. We test our method using several small molecules and show that we quickly approach the CISD limit with a small number of auxiliary functions.
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。
