Non-Born–Oppenheimer electron, nuclear and nuclear–electron second-order density matrices for exactly solvable four-particle model system

Abstract:

Properties of the non-Born–Oppenheimer two-matrix are examined for four-particle systems of the Coulomb–Hooke and Moshinsky types. We obtain for both these models explicit closed-form analytic expressions for the electron and nuclear 2-RDM. An explicit expression is also obtained for the electron–nuclear 2-RDM in the Moshinsky case, which shows coupling between the electron and nuclear coordinates.

Año de publicación:

2016

Keywords:

• density functional theory
• Few body systems
• Two-matrix
• Reduced density matrix

Fuente:

scopus

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