## Variational Two-electron Reduced Density Matrix Theory for Many-electron Atoms and Molecules: Implementation of the Spin- and Symmetry-adapted T2 Condition through First-order Semidefinite Programming

The energy and properties of a many-electron atom or molecule may be directly computed from a variational optimization of a two-electron reduced density matrix (2-RDM) that is constrained to represent many-electron quantum systems. In this paper we implement a variational 2-RDM method with a representability constraint, known as the $T_2$ condition. The optimization of the … Read more