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:
Feb. 15, 2000
Filed:
Feb. 27, 1998
Fuji Xerox Co., Ltd., Tokyo, JP;
Abstract
Electron repulsion integrals are classified according to atomic nucleus coordinates, etc., coefficients are generated and are stored in a data memory, multiplication with addition operation is executed according to a product sum procedure of auxiliary integrals of recursive order 1 or less, and the result is stored in the data memory. Next, density matrix element is stored in the data memory, a multiplication with addition operation procedure of an electron repulsion integral of recursive order 2 not containing any procedure of recursive order 1 or less is generated, and an instruction memory is updated. Multiplication with addition operation is executed while data is read from the data memory, and the result is stored in the data memory. At the termination of the product sum procedure, calculation of electron repulsion integral gRstu is complete and the Fock matrix element value is updated. The Fock matrix element containing electron repulsion integral when a linear combination constant to minimize the expected value of molecule energy required for molecular orbital calculation is found is thus found by performing recursive multiplication with addition operation.