| 摘要 |
<p><P>PROBLEM TO BE SOLVED: To provide an activated state specification device capable of converging a force acting on an atom, and further shortening an operation time for specifying an activated state. <P>SOLUTION: The activated state specifying device 1 is provided with: a potential operation part 5 which calculates the force acting on the atom from a position of the atom; an atom position operation part 6 which calculates a new position of the atom for converging the force acting the atom which is displaced from the current position of the atom; and a control part 7 which makes the atom position operation part 6 and the potential operation part 5 repeatedly calculate the new position of the atom and the force acting on the atom, and specifies the activated state of the atom by making the force acting on the atom converge. The atom position operation part 6 calculates the new position of the atom based on a plurality of unique values and a plurality of inherent vectors for a minute change of the force acting on the atom when the current position of the atom is minutely displaced. <P>COPYRIGHT: (C)2011,JPO&INPIT</p> |
