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
相关论文
共 34 条
[1]   SYMMETRY AND MOLECULAR CHIRALITY [J].
BARRON, LD .
CHEMICAL SOCIETY REVIEWS, 1986, 15 (02) :189-223
[2]   PARITY VIOLATION INDUCED BY WEAK NEUTRAL CURRENTS IN ATOMIC PHYSICS .1. [J].
BOUCHIAT, MA ;
BOUCHIAT, C .
JOURNAL DE PHYSIQUE, 1974, 35 (12) :899-927
[3]   PARITY VIOLATION INDUCED BY WEAK NEUTRAL CURRENTS IN ATOMIC PHYSICS .2. [J].
BOUCHIAT, MA ;
BOUCHIAT, C .
JOURNAL DE PHYSIQUE, 1975, 36 (06) :493-509
[4]   THE 1986 ADJUSTMENT OF THE FUNDAMENTAL PHYSICAL CONSTANTS [J].
COHEN, ER ;
TAYLOR, BN .
REVIEWS OF MODERN PHYSICS, 1987, 59 (04) :1121-1148
[6]   NONEMPIRICAL CALCULATIONS ON EXCITED STATES - FORMALDEHYDE MOLECULE [J].
DUNNING, TH ;
MCKOY, V .
JOURNAL OF CHEMICAL PHYSICS, 1968, 48 (11) :5263-&
[7]   PARTIAL-SYMMETRIES OF WEAK INTERACTIONS [J].
GLASHOW, SL .
NUCLEAR PHYSICS, 1961, 22 (04) :579-&
[8]   INFLUENCE OF POLARIZATION FUNCTIONS ON MOLECULAR-ORBITAL HYDROGENATION ENERGIES [J].
HARIHARA.PC ;
POPLE, JA .
THEORETICA CHIMICA ACTA, 1973, 28 (03) :213-222
[9]   QUANTUM BEATS IN OPTICAL-ACTIVITY AND WEAK INTERACTIONS [J].
HARRIS, RA ;
STODOLSKY, L .
PHYSICS LETTERS B, 1978, 78 (2-3) :313-317
[10]   CALCULATION OF THE PARITY NON-CONSERVING ENERGY DIFFERENCE BETWEEN MIRROR-IMAGE MOLECULES [J].
HEGSTROM, RA ;
REIN, DW ;
SANDARS, PGH .
JOURNAL OF CHEMICAL PHYSICS, 1980, 73 (05) :2329-2341