Calculation of contributions of one- and two-electron spin-orbit coupling terms to the parity-violating energy shifts for amino acids and helical alkanes

被引：34

作者：

Kiyonaga, H ^{[1
]}

Morihashi, K ^{[1
]}

Kikuchi, O ^{[1
]}

机构：

[1] Univ Tsukuba, Dept Chem, Tsukuba, Ibaraki 305, Japan

来源：

JOURNAL OF CHEMICAL PHYSICS | 1998年 / 108卷 / 05期

关键词：

D O I：

10.1063/1.475583

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：

Rigorous calculations were performed for spin-orbit coupling terms of the Breit-Pauli Hamiltonian in the calculation of the parity-violating energy shifts E-pv using the sum-over-state perturbation theory, and the role of one-electron and two-electron spin-orbit coupling terms was examined. Calculations on amino acids and helical n-alkanes have suggested that inclusion of one-center terms both of one-and two-electron spin couplings is sufficient to estimate the E-pv values quantitatively. (C) 1998 American Institute of Physics.

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页码：2041 / 2043

页数：3

相关论文

共 26 条

[1] OBSERVATION OF INVERTED INFRARED LAMB DIPS IN SEPARATED OPTICAL ISOMERS [J].

ARIMONDO, E ;

GLORIEUX, P ;

OKA, T .

OPTICS COMMUNICATIONS, 1977, 23 (03) :369-372

[2] PARITY NONCONSERVATION AND NMR OBSERVABLES - CALCULATION OF TL RESONANCE FREQUENCY DIFFERENCES IN ENANTIOMERS [J].

BARRA, AL ;

ROBERT, JB ;

WIESENFELD, L .

PHYSICS LETTERS A, 1986, 115 (09) :443-447

[3] PARITY VIOLATION INDUCED BY WEAK NEUTRAL CURRENTS IN ATOMIC PHYSICS .1. [J].

BOUCHIAT, MA ;

BOUCHIAT, C .

JOURNAL DE PHYSIQUE, 1974, 35 (12) :899-927

[4] PARITY VIOLATION INDUCED BY WEAK NEUTRAL CURRENTS IN ATOMIC PHYSICS .2. [J].

BOUCHIAT, MA ;

BOUCHIAT, C .

JOURNAL DE PHYSIQUE, 1975, 36 (06) :493-509

[5] THE ORIGIN OF BIOMOLECULAR CHIRALITY - THE GENERALIZED FRANK MODEL WITH ARBITRARY INITIAL CONDITIONS [J].

GUTMAN, I ;

BABOVIC, V ;

JOKIC, S .

CHEMICAL PHYSICS LETTERS, 1988, 144 (02) :187-190

[6] QUANTUM BEATS IN OPTICAL-ACTIVITY AND WEAK INTERACTIONS [J].

HARRIS, RA ;

STODOLSKY, L .

PHYSICS LETTERS B, 1978, 78 (2-3) :313-317

[7] THE EFFECT OF THE PARITY VIOLATING ELECTRON-NUCLEUS INTERACTION ON THE SPIN-SPIN COUPLING HAMILTONIAN OF CHIRAL MOLECULES [J].

HARRIS, RA ;

STODOLSKY, L .

JOURNAL OF CHEMICAL PHYSICS, 1980, 73 (08) :3862-3863

[8]

Hegstrom R.A., 1991, J MOL STRUC-THEOCHEM, V232, P17

[9] 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

[10] PARITY-VIOLATING ENERGY SHIFT OF GLYCINE, ALANINE, AND SERINE IN THE ZWITTERIONIC FORMS - CALCULATION USING HFO-NG BASIS-SETS [J].

KIKUCHI, O ;

WANG, H .

BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN, 1990, 63 (10) :2751-2754