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A self consistent field molecular orbital study of the lithium-formaldehyde system

✍ Scribed by B.J. McClelland; S. Norton

Publisher
Elsevier Science
Year
1983
Tongue
English
Weight
358 KB
Volume
94
Category
Article
ISSN
0022-2860

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An open-ended self-consistent field meth
An open-ended self-consistent field method. A simulation of a molecular orbital technique for small memory computers
✍ Mark A. Benzel; Clifford E. Dykstra πŸ“‚ Article πŸ“… 1982 πŸ› John Wiley and Sons 🌐 English βš– 381 KB

## Abstract The steps in a nonconventional algorithm for self‐consistent field calculations are outlined, and calculations on cumulenes are given to demonstrate the convergence properties of the method. The approach is essentially open ended and is likely to be cost effective on computer systems wi