• 中文
    • English
  • English 
    • 中文
    • English
  • Login
View Item 
  •   DSpace Home
  • 化学化工学院
  • 化学化工-已发表论文
  • View Item
  •   DSpace Home
  • 化学化工学院
  • 化学化工-已发表论文
  • View Item
JavaScript is disabled for your browser. Some features of this site may not work without it.

VALENCE-BOND STRUCTURE-FUNCTION AND BONDED FUNCTION .1. THEORETICAL METHOD AND APPLICATION TO METHANE

Thumbnail
Full Text
价键结构函数与键函数__理论处理及甲烷的应用实例.pdf (2.334Mb)
Date
1995
Author
MO, YR
莫亦荣
WU, W
吴玮
ZHANG, QE
张乾二
Collections
  • 化学化工-已发表论文 [14469]
Show full item record
Abstract
The bonded tableau is expanded in a series of bonded functions of different order, where the zero-order wavefunction of a system is expressed as an asymmetric product of strong-orthogonal geminals (APSG), moreover, many-order correction wavefunctions are constructed to describe the correlation interactions among several bonds. As an application, a Heitler-London-like function was chosen as the bonded function to perform the calculation of methane molecule. The results show that the first to the third correction energies consist in an approximate ratio of 4:2:-1. Thus the convergence of the correction wavefunctions is moderately good.
Citation
ACTA CHIMICA SINICA,1995,53(1):9-13
URI
https://dspace.xmu.edu.cn/handle/2288/13758

copyright © 2002-2016  Duraspace  Theme by @mire  厦门大学图书馆  
About | Policies
 

 

Browse

All of DSpaceCommunities & CollectionsBy Issue DateAuthorsTitlesSubjectsThis CollectionBy Issue DateAuthorsTitlesSubjects

My Account

LoginRegister

copyright © 2002-2016  Duraspace  Theme by @mire  厦门大学图书馆  
About | Policies