Representable reference density matrices applied to the graphical description of the Coulomb hole in the 1s2(2p)21S state of the B+ ion

✍ Scribed by Everett G. Larson

• Publisher: John Wiley and Sons
• Year: 1978
• Tongue: English
• Weight: 440 KB
• Volume: 13
• Category: Article
• ISSN: 0020-7608
• DOI: 10.1002/qua.560130610

✦ Synopsis

Abstract

Representable reference density matrices are applied to the graphical description of the Coulomb hole in a CI wave function for the first excited ^1^S state of the four‐electron boron ion B^+^. It is found that a satisfactory picture of the Coulomb hole emerges only when the symmetry of the correlated wave function is recognized in the construction of the reference full‐density matrix.