Degenerate and nondegenerate states in Jahn-Teller problems

被引:0
作者
Bersuker, IB [1 ]
机构
[1] Univ Texas, Dept Chem & Biochem, Inst Theoret Chem, Austin, TX 78712 USA
来源
VIBRONIC INTERACTIONS: JAHN-TELLER EFFECT IN CRYSTALS AND MOLECULES | 2001年 / 39卷
关键词
Jahn-Teller effect; pseudo Jahn-Teller effect; degenerate states;
D O I
暂无
中图分类号
O64 [物理化学(理论化学)、化学物理学]; O56 [分子物理学、原子物理学];
学科分类号
070203 ; 070304 ; 081704 ; 1406 ;
摘要
A general discussion of the role of degeneracy in the Jahn-Teller effect (JTE) theory is discussed. The latest developments of the theory in combination with electronic structure calculations show that the pseudo JTE, which is based on vibronic coupling between two or more nondegenerate electronic states, does not require the energy gap A between them to be small. Large vibronic effects are possible for any A value, and the coupling to excited states is the only source of instability of the ground state. This allows for a more general formulation of the theorem of vibronic coupling effects, which makes the theory applicable to any polyatomic system. For ground vibronic energy levels, recent achievements show that they may be nondegenerate too. Degeneracy is thus not an inalienable attribute to polyatomic systems with strong vibronic coupling effects.
引用
收藏
页码:73 / 82
页数:10
相关论文
共 27 条
[1]   A peculiar excited electronic state of allene (1,2-propadiene) [J].
Bawagan, ADO ;
Ghanty, TK ;
Davidson, ER ;
Tan, KH .
CHEMICAL PHYSICS LETTERS, 1998, 287 (1-2) :61-69
[3]  
Bersuker I., 1989, Vibronic Interactions in Molecules and Crystals
[4]  
Bersuker I.B., 1996, ELECT STRUCTURE PROP
[5]  
BERSUKER IB, 1993, NEW J CHEM, V17, P3
[6]   JAHN-TELLER EFFECT IN CRYSTAL-CHEMISTRY AND SPECTROSCOPY [J].
BERSUKER, IB .
COORDINATION CHEMISTRY REVIEWS, 1975, 14 (04) :357-412
[7]  
BERSUKER IB, 1988, FIZ TVERD TELA+, V30, P1738
[8]  
BERSUKER IB, 1963, ZH EKSP TEOR FIZ, V16, P933
[9]   POTENTIAL SURFACES FOR (NH)32+ [J].
BORDEN, WT ;
DAVIDSON, ER ;
FELLER, D .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1980, 102 (16) :5302-5311
[10]   Multiple surface intersections and strong nonadiabatic coupling effects between the (D)over-tilde2E1u and (E)over-tilde2B2u states of C6H6+ [J].
Doscher, M ;
Koppel, H .
CHEMICAL PHYSICS, 1997, 225 (1-3) :93-105