A LINEAR LEAST-SQUARES VARIATIONAL RECIPE FOR THE CALCULATION OF APPROXIMATE ENERGY EIGENSTATES

被引:3
作者
DUTTA, P [1 ]
BHATTACHARYYA, K [1 ]
BHATTACHARYYA, SP [1 ]
机构
[1] UNIV BURDWAN GOLAPBAG, DEPT CHEM, BURDWAN 713104, W BENGAL, INDIA
关键词
D O I
10.1016/0009-2614(94)00713-6
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 efficacy of the energy-spread minimization technique for solving the energy-eigenvalue equation in a linear variational framework is assessed with a 3 x 3 matrix perturbation problem with backdoor intruders, quartic anharmonic oscillator and the He-atom problems as prototypical examples. Both direct and indirect minimization schemes are considered and disadvantages of the latter pointed out. The relative merits and demerits of the conventional, vis-a-vis stochastic minimization routes are critically analyzed in the present context.
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页码:73 / 81
页数:9
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