Article: Findings from G. Gidofalvi et al in physics reported.(Report)

"Direct calculation of the ground-state two-electron reduced density matrix (2-RDM) and its energy has recently been achieved for many-electron atoms and molecules by solving the anti-Hermitian part of the contracted Schrodinger equation (ACSE) [D. A. Mazziotti, Phys. Rev. Lett. 97, 143002 (2006)]. In this paper the ACSE method is extended to computing the 2-RDMs and energies of excited states without the many-electron wave function," scientists in the United States report.

"The contracted Schrodinger equation (CSE) is an important ingredient for excited-state 2-RDM methods because it is a stationary-state condition for both ground and excited states. We develop ...

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