The $Δ\text{NO}$ method for static correlation is combined with second-order Møller-Plesset perturbation theory (MP2) and coupled-cluster singles and doubles (CCSD) to account for dynamic correlation. The MP2 and CCSD expressions are adapted from finite-temperature CCSD, which includes orbital occupancies and vacancies, and expanded orbital summations. Correlation is partitioned with the aid of damping factors incorporated into the MP2 and CCSD residual equations. Potential energy curves for a selection of diatomics are in good agreement with extrapolated full configuration interaction results (exFCI), and on par with conventional multireference approaches.
Consistent inclusion of triple substitutions within a coupled cluster based static quantum embedding theory
University of California, Berkeley（加州大学伯克利分校）；Rensselaer Polytechnic Institute（伦斯勒理工学院）；Berkeley Center for Quantum Information and Computation（伯克利量子信息与计算中心）；Lawrence Berkeley National Laboratory（劳伦斯伯克利国家实验室）
Coupling between thermochemical contributions of subvalence correlation and of higher-order post-CCSD(T) correlation effects -- a step toward `W5 theory'
Simultaneous Learning of Static and Dynamic Charges
Stuttgart Center for Simulation Science (SC SimTech), University of Stuttgart（斯图加特大学）；Institute for Computational Physics, University of Stuttgart（斯图加特大学计算物理研究所）；Hamburg University of Technology（汉堡工业大学）；Laboratory of Computational Science and Modeling, IMX, École Polytechnique Fédérale de Lausanne（洛桑联邦理工学院）；Institute for Physics of Functional Materials, Hamburg University of Technology（汉堡工业大学功能材料物理研究所）
Adding Temperature to the Adiabatic Connection: Hybrid Functionals for Static and Dynamic Correlation
Arnold Sommerfeld Centre for Theoretical Physics, Ludwig-Maximilians-Universität München（路德维希-马克西米利安慕尼黑大学阿诺德·索末菲理论物理中心）；Department of Computer Science, Oslo Metropolitan University（奥斯陆都市大学计算机系）；Department of Physical Chemistry, University of Geneva（日内瓦大学物理化学系）
From Static Spectra to Operando Infrared Dynamics: Physics Informed Flow Modeling and a Benchmark
Department of Information Engineering, The Chinese University of Hong Kong（香港中文大学信息工程系）；Department of Computer Science and Engineering, The Hong Kong University of Science and Technology（香港科学与技术大学计算机科学与工程系）；Department of Computer Science（计算机科学系）；Engineering, The Hong Kong University of Science（工程，香港科学大学）；Shenzhen Loop Area Institute（深圳河套学院）；Massachusetts Institute of Technology（麻省理工学院）
