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Relationship Between Orthogonalization and Orbital Localization Procedures by B. Lévy; G. Berthier is a Physics and Astronomy article available to read on EtoBox.
What is Relationship Between Orthogonalization and Orbital Localization Procedures about?
## Abstract A condition for the equivalence of the Löwdin orthogonalization method and various localization methods is derived, taking the matrix elements of the localizing operator into consideration. In the example of the π atomic orbitals of benzene, it is shown that the “ultralocalized” functions defined in the Anderson fashion with help of the Boys minimum‐fluctuation criterion do not fulfill this condition, in contrast with a Ruedenberg‐type localization.
Who reads Relationship Between Orthogonalization and Orbital Localization Procedures?
It is typically read by researchers, students, and practitioners in Physics and Astronomy.
- Author
- B. Lévy; G. Berthier
- Publisher
- John Wiley and Sons; Wiley (John Wiley & Sons); John Wiley & Sons Inc.; Wiley (ISSN 0020-7608)
- Published
- 1977
- Language
- EN
- Field
- Physics and Astronomy (Physical Sciences)