Average electron momenta in many-electron atoms

被引:0
作者
T. Koga
机构
[1] Muroran Institute of Technology,Department of Applied Chemistry
来源
Theoretical Chemistry Accounts | 2005年 / 113卷
关键词
Electron momenta; Splitting; Electron-pair momenta; Upper and lower bounds; Many-electron atoms;
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摘要
In many-electron atoms, the average electron momentum 〈p〉 represents the mean momentum of a single electron when all the electron motions are averaged. If any two electrons are considered simultaneously, however, the average momentum 〈p〉 splits into two different momenta, low momentum 〈p<〉 and high momentum 〈p>〉. For the 102 atoms He through Lr in their ground states, the momenta 〈p<〉 and 〈p>〉 are systematically examined at the Hartree–Fock limit level. It is also shown that the sum 〈p>〉+〈p<〉 and the difference 〈p>〉−〈p<〉 of the two momenta constitute upper and lower bounds to the electron-pair relative momentum 〈p12〉=〈|p1−p2|〉 and to the electron-pair center-of-mass momentum 〈P〉=〈|p1+p2|/2〉. The tightness of the bounds is discussed for the 102 atoms.
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页码:183 / 186
页数:3
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