ELECTRON REPULSION INTEGRAL OPERATION DEVICE AND INITIAL INTEGRAL OPERATION METHOD

摘要

PROBLEM TO BE SOLVED: To calculate an electron repulsion integral quickly by efficiently executing electron repulsion product-sun operations.;SOLUTION: A management processor 10 reads data necessary to calculate initial integrals in a group corresponding to a parameter m=α from a memory 20. The management processor 10 selects a product-sum operation unit 30[α] from three product-sum operation units 30. The management processor 10 feeds the data read to the selected product-sum operation unit 30[α]. The product-sum operation unit 30[0] sequentially calculates initial integrals in the group corresponding to the parameter m=0. The product-sum operation unit 30[1] sequentially calculates initial integrals in the group corresponding to the parameter m=1. The product-sum operation unit 30[2] sequentially calculates initial integrals in the group corresponding to the parameter m=2.;COPYRIGHT: (C)2009,JPO&INPIT