𝔖 Bobbio Scriptorium
✦   LIBER   ✦

A quadratically convergent SCF procedure

✍ Scribed by J. Douady; Y. Ellinger; R. Subra; B. Levy


Publisher
Elsevier Science
Year
1979
Tongue
English
Weight
258 KB
Volume
17
Category
Article
ISSN
0010-4655

No coin nor oath required. For personal study only.


πŸ“œ SIMILAR VOLUMES


A quadratically convergent reference sta
✍ Esper Dalgaard πŸ“‚ Article πŸ“… 1979 πŸ› Elsevier Science 🌐 English βš– 427 KB

A qu~dmticalfy comergent procedure for the optimhtion of multiconfigumtionrd reference Ltates is presented snd analyzed. The 0ptim.d reference state is determined from the energy \ruintion principie by means of ZI sequence of unitary tmnsformations of the form c\p(i t)e\p(ir)lO>, xxherc the hermitea

Accelerating the convergence of the quad
✍ I.C. Chang πŸ“‚ Article πŸ“… 1975 πŸ› Elsevier Science 🌐 English βš– 252 KB

## An algorithm to solve the divergence problem of the quadratically convergent SCF method is suggested nnd is applied to the calculation of the excited states of a number of small molecu!es. The resuits show definite imp:ovement over tic original method.

A quadratic programming procedure
✍ Clifford Hildreth πŸ“‚ Article πŸ“… 1957 πŸ› John Wiley and Sons 🌐 English βš– 301 KB
A method for accelerating SCF convergenc
✍ Imre BΓ‘lint; MiklΓ³s I. BΓ‘n πŸ“‚ Article πŸ“… 1983 πŸ› Elsevier Science 🌐 English βš– 439 KB

Rcceivcd 13 December 1982;in final form 9 Aupust 19S3 -4 ne\\ efficient semi-itcr.ati\c convergence accelcr.Gion method is prcscntcd aid ilhlwacd b> ex.nnplcs of SCI: iteration.