eT 1.0：一个开放源码的电子结构程序，重点是耦合团簇和多级方法
eT 1.0: an open source electronic structure program with emphasis on coupled cluster and multilevel methods
摘要：
eT程序是一个开源的电子结构包，重点是耦合簇和多级方法。它包括有效的自旋自适应实现的基态和激发单重态，以及运动方程振子强度，为CCS，CC 2，CCSD和CC 3。此外，eT还提供了独特的功能，如多级Hartree-Fock和多级CC 2，CCS和CCSD的实时传播，以及高效的CC 3振荡器强度。利用基于电子排斥积分的高效Cholesky分解算法的耦合簇码，eT具有与使用密度拟合的码类似的优点，但具有严格的误差控制。在这里，我们提出的程序的主要特点，并通过示例计算演示其性能。由于其可用性，性能和独特的功能，我们希望eT成为电子结构社区的宝贵资源。
英文摘要：
The eT program is an open source electronic structure package with emphasis on coupled cluster and multilevel methods. It includes efficient spin adapted implementations of ground and excited singlet states, as well as equation of motion oscillator strengths, for CCS, CC2, CCSD, and CC3. Furthermore, eT provides unique capabilities such as multilevel Hartree-Fock and multilevel CC2, real-time propagation for CCS and CCSD, and efficient CC3 oscillator strengths. With a coupled cluster code based on an efficient Cholesky decomposition algorithm for the electronic repulsion integrals, eT has similar advantages as codes using density fitting, but with strict error control. Here we present the main features of the program and demonstrate its performance through example calculations. Because of its availability, performance, and unique capabilities, we expect eT to become a valuable resource to the electronic structure community.
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。
