|
Hooke's atom, also known as harmonium or hookium, refers to an artificial helium-like atom where the Coulombic electron-nucleus interaction potential is replaced by a harmonic potential. This system is of significance as it is, for certain values of the force constant defining the harmonic containment, an exactly solvable ground-state many-electron problem that explicitly includes electron correlation. As such it can provide insight into quantum correlation (albeit in the presence of a non-physical nuclear potential) and can act as a test system for judging the accuracy of approximate quantum chemical methods for solving the Schrödinger equation. The name "Hooke's atom" arises because the harmonic potential used to describe the electron-nucleus interaction is a consequence of Hooke's law. ==Definition== Employing atomic units, the Hamiltonian defining the Hooke's atom is : As written, the first two terms are the kinetic energy operators of the two electrons, the third term is the harmonic electron-nucleus potential, and the final term the electron-electron interaction potential. The non-relativistic Hamiltonian of the helium atom differs only in the replacement: : 抄文引用元・出典: フリー百科事典『 ウィキペディア(Wikipedia)』 ■ウィキペディアで「Hooke's atom」の詳細全文を読む スポンサード リンク
|