The patent badge is an abbreviated version of the USPTO patent document. The patent badge does contain a link to the full patent document.
The patent badge is an abbreviated version of the USPTO patent document. The patent badge covers the following: Patent number, Date patent was issued, Date patent was filed, Title of the patent, Applicant, Inventor, Assignee, Attorney firm, Primary examiner, Assistant examiner, CPCs, and Abstract. The patent badge does contain a link to the full patent document (in Adobe Acrobat format, aka pdf). To download or print any patent click here.
Patent No.:
Date of Patent:
Oct. 13, 2026
Filed:
Apr. 17, 2023
Fujitsu Limited, Kawasaki, JP;
Norihiko Takahashi, Atsugi, JP;
FUJITSU LIMITED, Kawasaki, JP;
Abstract
A non-transitory computer-readable storage medium storing a quantum chemical computing program that causes at least one computer to execute a process, the process includes generating a plurality of molecular orbital pairs that indicates a plurality of patterns of combination of two molecular orbitals, based on a plurality of molecular orbitals for a molecule subject to quantum chemical computations; computing, for each of the plurality of molecular orbital pairs, an overlap integral value between included molecular orbitals; and determining first molecular orbitals to be included in an active space orbital group in the quantum chemical computations, based on the overlap integral value of each of the plurality of molecular orbital pairs.
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