THE JAHN-TELLER EFFECT IN ICOSAHEDRAL SYMMETRY - EXTENSION OF HAM FACTORS IN STRONGLY COUPLED SYSTEMS

被引:14
作者
CULLERNE, JP
ANGELOVA, MN
OBRIEN, MCM
机构
[1] Dept. of Phys., Oxford Univ.
关键词
D O I
10.1088/0953-8984/7/17/008
中图分类号
O469 [凝聚态物理学];
学科分类号
070205 ;
摘要
We extend the standard definition ol reduction factors (Ham factors) in strongly coupled Jahn-Teller (JT) systems. Our aim is to cover linear JT systems in which the vibronic ground state at strong coupling is in close proximity in energy to low-lying excited states belonging to singlet and non-trivial irreducible representations of the JT centre. Such a structure of low-lying vibronic states is present in the linear JT systems of the icosahedral orbital quartet and quintet, G and H. We calculate all the standard reduction factors as well as extended matrix elements, for the icosahedral systems G circle times g, G circle times h and H circle times g. We calculate the matrix of Ham factors needed to handle the extra multiplicity of an H operator in an H state. A direct group-theoretical approach which explains the origins of various features of our analysis is included.
引用
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页码:3247 / 3269
页数:23
相关论文
共 22 条
[1]  
AUERBACH A, 1984, NUCL PHYS B, V257, P799
[2]   ALTERNATIVE EQUIVALENT ICOSAHEDRAL IRREDUCIBLE TENSORS [J].
BOYLE, LL ;
SCHAFFER, CE .
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1974, 8 (02) :153-161
[3]   ICOSAHEDRAL IRREDUCIBLE TENSORS AND THEIR APPLICATIONS [J].
BOYLE, LL ;
OZGO, Z .
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1973, 7 (02) :383-404
[4]   SYMMETRY COORDINATES AND VIBRATION FREQUENCIES FOR AN ICOSAHEDRAL CAGE [J].
BOYLE, LL ;
PARKER, YM .
MOLECULAR PHYSICS, 1980, 39 (01) :95-109
[5]  
Butler P. H., 1981, POINT GROUP SYMMETRY
[6]   COUPLING COEFFICIENTS AND TENSOR OPERATORS FOR CHAINS OF GROUPS [J].
BUTLER, PH .
PHILOSOPHICAL TRANSACTIONS OF THE ROYAL SOCIETY A-MATHEMATICAL PHYSICAL AND ENGINEERING SCIENCES, 1975, 277 (1272) :545-585
[7]   SYMMETRY ASPECTS OF JAHN-TELLER ACTIVITY - STRUCTURE AND REACTIVITY [J].
CEULEMANS, A ;
BEYENS, D ;
VANQUICKENBORNE, LG .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1984, 106 (20) :5824-5837
[8]   SO(4) SYMMETRY AND THE STATIC JAHN-TELLER EFFECT IN ICOSAHEDRAL MOLECULES [J].
CEULEMANS, A ;
FOWLER, PW .
PHYSICAL REVIEW A, 1989, 39 (02) :481-493
[9]   THE JAHN-TELLER INSTABILITY OF FIVEFOLD DEGENERATE STATES IN ICOSAHEDRAL MOLECULES [J].
CEULEMANS, A ;
FOWLER, PW .
JOURNAL OF CHEMICAL PHYSICS, 1990, 93 (02) :1221-1234
[10]   THE JAHN-TELLER EFFECT IN ICOSAHEDRAL SYMMETRY - GROUND-STATE TOPOGRAPHY AND PHASES [J].
CULLERNE, JP ;
OBRIEN, MCM .
JOURNAL OF PHYSICS-CONDENSED MATTER, 1994, 6 (43) :9017-9041