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Strategies for Electron Correlation Calculations on Large Molecular Systems by Svein Saebø is a Physics and Astronomy article available to read on EtoBox.
What is Strategies for Electron Correlation Calculations on Large Molecular Systems about?
## Abstract The two main problems in applying common methods for electron correlation to large systems are (1) the steep dependency of the computational task with the size of the system and (2) the large and often prohibitive number of two‐electron integrals that must be stored and retrieved during the calculation. The direct local correlation method eliminates both these problems. This method is a combination of the local correlation method that eliminates the steep computational dependency with the size of the system and extension of the direct SCF approach to electron correlation methods. The latter method eliminates external storage of the electron repulsion integrals. In this review, the direct local correlation approach and its computer implementation will be described in detail, including computational examples and comparisons to similar methods developed in other groups. The feasibility of future applications to extended systems is discussed.
Who reads Strategies for Electron Correlation Calculations on Large Molecular Systems?
It is typically read by researchers, students, and practitioners in Physics and Astronomy.
- Author
- Svein Saebø
- Publisher
- John Wiley and Sons; Wiley (John Wiley & Sons); John Wiley & Sons Inc.; Wiley (ISSN 0020-7608)
- Published
- 1992
- Language
- EN
- Field
- Physics and Astronomy (Physical Sciences)