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

Citation
P. Dutta et al., A LINEAR LEAST-SQUARES VARIATIONAL RECIPE FOR THE CALCULATION OF APPROXIMATE ENERGY EIGENSTATES, Chemical physics letters, 226(1-2), 1994, pp. 73-81
Citations number
46
Categorie Soggetti
Physics, Atomic, Molecular & Chemical
Journal title
ISSN journal
00092614
Volume
226
Issue
1-2
Year of publication
1994
Pages
73 - 81
Database
ISI
SICI code
0009-2614(1994)226:1-2<73:ALLVRF>2.0.ZU;2-J
Abstract
The efficacy of the energy-spread minimization technique for solving t he energy-eigenvalue equation in a linear variational framework is ass essed with a 3 x 3 matrix perturbation problem with backdoor intruders , quartic anharmonic oscillator and the He-atom problems as prototypic al examples. Both direct and indirect minimization schemes are conside red and disadvantages of the latter pointed out. The relative merits a nd demerits of the conventional, vis-a-vis stochastic minimization rou tes are critically analyzed in the present context.