DOI: 10.1002/qua.560070407. A “Level–Shifting” method for converging closed shell Hartree

A “Level–Shifting” method for converging closed shell Hartree–Fock wave functions

10.1002/qua.560070407

Crossref journal-article

Wiley

International Journal of Quantum Chemistry (311)

Abstract

AbstractA discussion of Hartree damping in closed‐shell Hartree‐Fock theory is given indicating when the method might force convergence of intrinsically divergent cases. An alternative, but closely related principle, “level shifting” is described, and the advantages of the latter procedure discussed.

Bibliography

Saunders, V. R., & Hillier, I. H. (1973). A âLevelâShiftingâ method for converging closed shell HartreeâFock wave functions. International Journal of Quantum Chemistry, 7(4), 699â705. Portico.

Authors 2

V. R. Saunders (first)
I. H. Hillier (additional)

References 7 Referenced 321

10.1103/RevModPhys.23.69
10.1103/RevModPhys.32.179
{'key': 'e_1_2_1_4_2', 'volume-title': 'The Calculation of Atomic Structures', 'author': 'Hartree D. R.', 'year': '1957'} / The Calculation of Atomic Structures by Hartree D. R. (1957)
10.1007/BF00528230
10.1098/rspa.1970.0203
10.1080/00268977000101001
10.1039/sf9680200015

Dates

Type	When
Created	20 years, 7 months ago (Dec. 31, 2004, 1:17 p.m.)
Deposited	1 year, 10 months ago (Oct. 8, 2023, 5 a.m.)
Indexed	2 weeks, 5 days ago (Aug. 2, 2025, 12:40 a.m.)
Issued	52 years, 1 month ago (July 1, 1973)
Published	52 years, 1 month ago (July 1, 1973)
Published Online	20 years, 10 months ago (Oct. 19, 2004)
Published Print	52 years, 1 month ago (July 1, 1973)

Funders 0

None

BibTeX

@article{Saunders_1973, title={A “Level–Shifting” method for converging closed shell Hartree–Fock wave functions}, volume={7}, ISSN={1097-461X}, url={http://dx.doi.org/10.1002/qua.560070407}, DOI={10.1002/qua.560070407}, number={4}, journal={International Journal of Quantum Chemistry}, publisher={Wiley}, author={Saunders, V. R. and Hillier, I. H.}, year={1973}, month=jul, pages={699–705} }

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