The hydrogen atom confined by one and two hard cones

被引:2
|
作者
Sarsa, A. [1 ]
Alcaraz-Pelegrina, J. M. [1 ]
Le Sech, C. [2 ]
机构
[1] Univ Cordoba, Dept Fis, Campus Rabanales Edif C2, E-14071 Cordoba, Spain
[2] Univ Paris 11, Univ Paris Saclay, CNRS, ISMO, F-91405 Orsay, France
关键词
Confined atoms; Electronic structure; H atom; Bound states; Quantum Monte Carlo; KOHN-SHAM EQUATIONS; MANY-ELECTRON ATOMS; PENETRABLE SPHERE; COMPRESSED ATOMS; WAVE-FUNCTIONS; COVALENT BOND; BOXES; BOUNDARY; SYSTEMS; WALLS;
D O I
10.1016/j.physleta.2016.12.047
中图分类号
O4 [物理学];
学科分类号
0702 ;
摘要
The bound states of the H atom in a semi-infinite space limited by one or two conical boundaries are studied. The exact solution when the nucleus is located at the apex of the conical boundaries is obtained. A rapid increase of the energy when the cone angle opens and tends to pi/2 is found. A second situation with the atom separated from the summit of the cone is considered. The changes on the energy and the electronic structure are analyzed. The quantum force is evaluated by calculating the energy derivative versus the distance to the cone vertex. One of the forces exerted on the tip of an Atomic Force Microscope can be modelized by a hard cone probing the electron cloud in the contact mode. Our numerical results show that the quantum force present an important dependence with the cone angle and it vanishes rapidly as the distance increases. (C) 2016 Elsevier B.V. All rights reserved.
引用
收藏
页码:780 / 786
页数:7
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