The nuclear quadrupole moment of N-14 obtained from finite-element MCHF calculations on N2+ (2P; P-2(3/2)) and N+(2p(2); P-3(2) and 2p(2); D-1(2))

被引：61
|
作者：
Tokman, M [1 ]
Sundholm, D [1 ]
Pyykko, P [1 ]
Olsen, J [1 ]
机构：
[1] LUND UNIV, CTR CHEM, S-22100 LUND, SWEDEN
来源：
CHEMICAL PHYSICS LETTERS | 1997年 / 265卷 / 1-2期
关键词：
D O I：
10.1016/S0009-2614(96)01433-9
中图分类号：
O64 [物理化学（理论化学）、化学物理学];
学科分类号：
070304 ; 081704 ;
摘要：
The electric field gradient at the nucleus is evaluated for the title systems using finite-element multiconfiguration Hartree-Fock (MCHF) expansions as electronic wavefunctions. The new nuclear quadrupole moment for N-14 (Q(N-14)) from N2+ 2p; P-2(3/2) is 20.44(3) mb, an order-of-magnitude improvement in accuracy over the previous standard value of 20.2(3) mb from N+ 2p3p; P-1(1). The present Q(N-14) is supported by the N+ 2p(2); P-3(2) and 2p(2); D-1(2) values Of 20.45(6) mb and 20.48(8) mb.
引用
收藏
页码：60 / 64
页数：5
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