✦ LIBER ✦
An open-ended self-consistent field method. A simulation of a molecular orbital technique for small memory computers
✍ Scribed by Mark A. Benzel; Clifford E. Dykstra
- Publisher
- John Wiley and Sons
- Year
- 1982
- Tongue
- English
- Weight
- 381 KB
- Volume
- 3
- Category
- Article
- ISSN
- 0192-8651
No coin nor oath required. For personal study only.
✦ Synopsis
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 with minimal core.