Minimum-cross-entropy estimation of electron-pair densities from scattering intensities

✍ Scribed by J Antolı́n; J.C Cuchı́; J.C Angulo

• Book ID: 104337598
• Publisher: Elsevier Science
• Year: 1999
• Tongue: English
• Weight: 109 KB
• Volume: 260
• Category: Article
• ISSN: 0375-9601
• DOI: 10.1016/s0375-9601(99)00426-0

✦ Synopsis

Tight approximations to the electron-pair density h u of atomic systems are obtained in terms of a very limited set of Ž . values of the total scattering intensity K k , by means of the minimum-cross-entropy technique. The accuracy of the approximations is analyzed for two-and four-electron systems.