We describe recent progress in developing practical ab initio methods for which the computer effort is proportional to the number of atoms: linear scaling or O(N) methods. It is shown that the locality property of the density matrix gives a general framework for constructing such methods. We then de
β¦ LIBER β¦
Benchmark calculations for lanthanide atoms: Calibration of ab initio and density-functional methods
β Scribed by Liu, Wenjian; Dolg, Michael
- Book ID
- 115463393
- Publisher
- The American Physical Society
- Year
- 1998
- Tongue
- English
- Weight
- 149 KB
- Volume
- 57
- Category
- Article
- ISSN
- 1050-2947
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