The nuclear quadrupole moment of 14N obtained from finite element MCHF calculations on N+ (2p3p) 1P

✍ Scribed by Jeppe Olsen; Dage Sundholm

• Publisher: Elsevier Science
• Year: 1994
• Tongue: English
• Weight: 308 KB
• Volume: 226
• Category: Article
• ISSN: 0009-2614
• DOI: 10.1016/0009-2614(94)00699-7

✦ Synopsis

The electric field gradient at the nucleus is evaluated for the 2p3p ~P state of N + using finite element MCHF expansions as electronic wavefunctions. The valence limit for the electric field gradient is 0.9807 au. The addition of the Is polarization contribution of -0.0164 au, the I s core-core correlation contribution of -0.0028 au, and relativistic effects of 0.0017 au changes this value to 0.9632 au. A comparison with the measured nuclear quadrupole coupling constant yields a valence correlation value of 0.0199 b for Q (14N), and the final estimate is 0.0202 b with an uncertainty of 0.0003 b.