New Formulas of Matrix Element of MajoranaOperators of Four-atomic Molecules

Chem. J. Chinese Universities ›› 2002, Vol. 23 ›› Issue (4): 709.

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New Formulas of Matrix Element of MajoranaOperators of Four-atomic Molecules

WANG Mei-Shan^1,2, DING Shi-Liang^1,2, LI Bo-Fu², ZHANG Gang²

1. Institute of Theoretical Chemistry, Shandong University, Jinan 250100, China;
2. State Key Laboratory of Theoretical and Computational Chemistry, Jilin University, Changchun 130023, China

Received:2001-10-11 Online:2002-04-24 Published:2002-04-24

Abstract

Abstract: We first studied the relationship between coupling tensor operators of the product of three ten-sor operators of SO(4) and Majorana operators of four-atomic molecules.We have gained the general for-mulae of the matrix elements of the coupling tensor operators of product of three tensor operators by usingGeneralized Wigner-Eckart theorem.As an example, we calculated the matrix elements of Majorana oper-ators and gave the new simpler formulae of them.

Key words: Coupling tensor operators, Majorana operators, Generalized Wigner-Eckart theorem

CLC Number:

O641

TrendMD:

WANG Mei-Shan, DING Shi-Liang, LI Bo-Fu, ZHANG Gang. New Formulas of Matrix Element of MajoranaOperators of Four-atomic Molecules[J]. Chem. J. Chinese Universities, 2002, 23(4): 709.

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New Formulas of Matrix Element of MajoranaOperators of Four-atomic Molecules

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