Re-evaluating semi-empirical computer simulations in quantum chemistry
نویسندگان
چکیده
منابع مشابه
Towards quantum chemistry on a quantum computer.
Exact first-principles calculations of molecular properties are currently intractable because their computational cost grows exponentially with both the number of atoms and basis set size. A solution is to move to a radically different model of computing by building a quantum computer, which is a device that uses quantum systems themselves to store and process data. Here we report the applicati...
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As quantum computing technology improves and quantum computers with a small but non-trivial number of N ≥ 100 qubits appear feasible in the near future the question of possible applications of small quantum computers gains importance. One frequently mentioned application is Feynman’s original proposal of simulating quantum systems, and in particular the electronic structure of molecules and mat...
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ژورنال
عنوان ژورنال: Foundations of Chemistry
سال: 2019
ISSN: 1386-4238,1572-8463
DOI: 10.1007/s10698-018-09329-w