Wide-band and narrow-band approximations for donor-bridge-acceptor systems

被引：5

作者：

Amos, AT

Burrows, BL

Davison, SG

机构：

[1] STAFFORDSHIRE UNIV,SCH COMP,MATH GRP,BEACONSIDE ST18 ODG,STAFFS,ENGLAND

[2] ASTON UNIV,DEPT APPL MATH & COMP SCI,BIRMINGHAM B74 ET,W MIDLANDS,ENGLAND

[3] UNIV WATERLOO,DEPT APPL MATH,WATERLOO,ON N2L 3G1,CANADA

[4] UNIV WATERLOO,DEPT PHYS,WATERLOO,ON N2L 3G1,CANADA

[5] GUELPH WATERLOO PROGRAM GRAD WORK PHYS,GUELPH,ON,CANADA

来源：

JOURNAL OF CHEMICAL PHYSICS | 1996年 / 105卷 / 06期

关键词：

D O I：

10.1063/1.472103

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：

The techniques of wide-band and narrow-band approximations, which have been used in solid state theory, are applied to the theory of donor-bridge-acceptor models which are commonly used to represent molecular switches or wires. The approximations lead to analytical solutions which closely match the numerical calculations. These approximations are based on one of the simplest one-electron models where the interaction is time independent and the bridge band is completely initially empty. The form of the analytical solutions and the stability of the numerical calculations are discussed. (C) 1996 American Institute of Physics.

引用

页码：2364 / 2372

页数：9

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