Variational justification of the dimensional-scaling method in chemical physics: the H-atom

被引:9
作者
Chen, Goong [2 ,3 ,4 ]
Ding, Zhonghai [1 ]
Lin, Chang-Shou [3 ]
Herschbach, Dudley [4 ]
Scully, Marlan O. [4 ]
机构
[1] Univ Nevada, Dept Math Sci, Las Vegas, NV 89154 USA
[2] Texas A&M Univ, Dept Math, College Stn, TX 77843 USA
[3] Natl Taiwan Univ, Taida Inst Math Sci, Taipei 10764, Taiwan
[4] Texas A&M Univ, Inst Quantum Studies, College Stn, TX 77843 USA
关键词
Dimensional scaling method; Schrodinger equation; Variational justification; MODEL;
D O I
10.1007/s10910-010-9710-6
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
The dimensional scaling (D-scaling) method first originated from quantum chromodynamics by using the spatial dimension D as an order parameter. It later has found many useful applications in chemical physics and other fields. It enables, e.g., the calculation of the energies of the Schrodinger equation with Coulomb potentials without having to solve the partial differential equation (PDE). This is done by imbedding the PDE in a D-dimensional space and by letting D tend to infinity. One can avoid the partial derivatives and then solve instead a reduced-order finite dimensional minimization problem. Nevertheless, mathematical proofs for the D-scaling method remain to be rigorously established. In this paper, we will establish this by examining the D-scaling procedures from the variational point of view. We show how the ground state energy of the hydrogen atom model can be calculated by justifying the singular perturbation procedures. In the process, we see in a more clear and mathematical way confirming (Herschbach J Chem Phys 85:838, 1986 Sect. II.A) how the D-dimensional electron wave function "condenses into a particle," the Dirac delta function, located at the unit Bohr radius.
引用
收藏
页码:791 / 811
页数:21
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