Toward density functional theory on quantum computers?
نویسندگان
چکیده
Quantum Chemistry and Physics have been pinpointed as killer applications for quantum computers, algorithms designed to solve the Schr\"odinger equation with wavefunction formalism. It is yet limited small systems, their size by number of qubits available. Computations on large systems rely mainly mean-field-type approaches such density functional theory, which no advantage has envisioned so far. In this work, we question a priori proposing counter-intuitive mapping from non-interacting an auxiliary interacting Hamiltonian that may provide desired advantage.
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Frank Gaitan1,2,3 and Franco Nori1,3,4 1Advanced Science Institute, The Institute of Physical and Chemical Research (RIKEN), Wako-shi, Saitama 351-0198, Japan 2Department of Physics, Southern Illinois University, Carbondale, Illinois 62901-4401, USA 3CREST, Japan Science and Technology Agency (JST), Kawaguchi, Saitama 332-0012, Japan 4Department of Physics, Center for Theoretical Physics, Unive...
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ژورنال
عنوان ژورنال: SciPost physics
سال: 2023
ISSN: ['2542-4653']
DOI: https://doi.org/10.21468/scipostphys.14.3.055