On the calculation of parity-violating energies in hydrogen peroxide and hydrogen disulphide molecules within the random-phase approximation

被引:82
作者
Lazzeretti, P [1 ]
Zanasi, R [1 ]
机构
[1] Univ Modena, Dipartimento Chim, I-41100 Modena, Italy
关键词
D O I
10.1016/S0009-2614(97)01060-9
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
It is shown via extended numerical tests that the ab initio calculation of a parity-violating energy term, at the random-phase approximation (or coupled Hartree-Fock perturbation theory) level of accuracy, gives results which are more than one order of magnitude larger than those usually obtained by means of less accurate methods employed so far. These findings make more plausible the hypothesis of electroweak selection of natural enantiomers. (C) 1997 Elsevier Science B.V.
引用
收藏
页码:349 / 354
页数:6
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