Quantum chemical benchmark databases of gold-standard dimer interaction energies
نویسندگان
چکیده
منابع مشابه
Quantum computing applied to calculations of molecular energies: CH2 benchmark.
Quantum computers are appealing for their ability to solve some tasks much faster than their classical counterparts. It was shown in [Aspuru-Guzik et al., Science 309, 1704 (2005)] that they, if available, would be able to perform the full configuration interaction (FCI) energy calculations with a polynomial scaling. This is in contrast to conventional computers where FCI scales exponentially. ...
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ژورنال
عنوان ژورنال: Scientific Data
سال: 2021
ISSN: 2052-4463
DOI: 10.1038/s41597-021-00833-x