Nuclear cusp and critical nuclear charge

被引:0
|
作者
Nagy, A. [1 ]
Sen, K. D. [2 ]
机构
[1] Univ Debrecen, Dept Theoret Phys, H-4002 Debrecen, Hungary
[2] Univ Hyderabad, Sch Chem, Hyderabad, India
关键词
Nuclear cusp relation; critical nuclear charge; density functional theory; SHORT-RANGE CORRELATIONS; HIGHLY EXCITED-STATES; ELECTRON-DENSITY; GROUND-STATE; BEHAVIOR; ATOMS;
D O I
10.1080/00268976.2022.2131643
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
The nuclear cusp relations for the wave function and the density are revisited. A quantity called cusp constant is introduced. It is proved that the ground-state energy of a Coulomb system is equal to the cusp constant. It is shown that the cusp constant is the same constant for any nucleus of a Coulomb system. An equation for the critical nuclear charge is derived. It is an implicit equation containing quantities taken at a nucleus, which can be used to express the necessary and sufficient condition for the N-electronic mononegative atom to be stable in terms of the electron density derived quantities defined at the nuclear position.
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页数:6
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