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On the solution of the least‐squares local energy variance minimization equations
Author(s) -
Harriss D. K.,
Solev I. G.
Publication year - 1975
Publication title -
international journal of quantum chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.484
H-Index - 105
eISSN - 1097-461X
pISSN - 0020-7608
DOI - 10.1002/qua.560090605
Subject(s) - convergence (economics) , minification , variance (accounting) , yield (engineering) , mathematics , least squares function approximation , iterative method , energy minimization , energy (signal processing) , mathematical optimization , statistics , chemistry , physics , thermodynamics , computational chemistry , economics , accounting , estimator , economic growth
The convergence behavior of an iterative procedure proposed by Frost, Kellogg, and Curtis for solution of variance minimization equations is discussed. Use of particular sets of initial parameters in the iterative procedure is shown to yield rapid convergence.