Erlangen 2018 – wissenschaftliches Programm

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Q: Fachverband Quantenoptik und Photonik

Q 46: Quantum Information (Concepts and Methods) IV

Q 46.9: Vortrag

Mittwoch, 7. März 2018, 16:00–16:15, K 1.019

The static correlation paradox in quantum chemistry: a quantum information approach — Carlos Benavides-Riveros¹, Christian Schilling², and •Zoltán Zimborás³ — ¹Institut für Physik, Martin-Luther-Universität Halle-Wittenberg, 06120 Halle (Saale), Germany — ²Clarendon Laboratory, University of Oxford, Parks Road, Oxford OX1 3PU, United Kingdom — ³Wigner Research Centre for Physics, H-1525 Budapest, Hungary

In many scenarios in quantum chemistry, e.g., dissociation of molecules, there is only an asymptotically small interaction between different electrons, yet the ground state is very far from being a Slater determinant, i.e., an uncorrelated state. In this talk, we will treat this problem from a quantum information theoretic point of view. Giving first the proper definitions of different types of correlations (particle and mode correlations), taking also into account the parity and the particle-number superselection rules, we show that in this scenarios even a very small noise or temperature would make the state uncorrelated. Discussing the implication of this, we note that the result implies that in realistic set-ups the strong correlation of the state disappears, which may also hint to the possibility of improved numerical methods that can capture these scenarios.