Library

X
feed icon rss

Your email was sent successfully. Check your inbox.

An error occurred while sending the email. Please try again.

Proceed reservation?

Export
back to result list
  • 1
    Electronic Resource
    Electronic Resource
    Nonorthogonal weights of modern VB wavefunctions. Implementation and applications within CASVB (1998)
    Springer
    Journal of mathematical chemistry 23 (1998), S. 105-106 
    Details
    ISSN: 1572-8897
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology , Mathematics
    Notes: Abstract The CASVB approach is a recent development in modern valence bond theory which aims to provide easily visualized, highly accurate representations of very general types of CASSCF wavefunctions. Fully variational optimization may also be performed for quite general types of modern valence bond wavefunction. Numerous definitions of nonorthogonal weights are used to investigate the role of contributions from various types of ‘ionic’ configurations, taking hexatriene and N2S2 as illustrative examples.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1023/A:1019100703879
    Library Location Call Number Volume/Issue/Year Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
Close ⊗
This website uses cookies and the analysis tool Matomo. More information can be found here...