Name
Abstract | ||
|---|---|---|
An algorithm is presented for the use of a dynamic level-shifting parameter in solving SCF equations of semiempirical quantum chemical calculations. The shift parameter is changed automatically in each iteration cycle in order to reduce computation time. |
Year | DOI | Venue |
|---|---|---|
1989 | 10.1016/0097-8485(89)80027-0 | Computers & Chemistry |
Field | DocType | Volume |
Statistical physics,Molecular orbital,Quantum,Matrix calculus,Level shifting,Algorithm,Chemistry,Genetics,Dynamic method,Quantum chemistry,Computation | Journal | 13 |
Issue | ISSN | Citations |
1 | Computers and Chemistry | 0 |
PageRank | References | Authors |
0.34 | 4 | 2 |
Name | Order | Citations | PageRank |
|---|---|---|---|
| Gy. Dömötör | 1 | 0 | 1.01 |
| M.I. Bán | 2 | 5 | 3.38 |