Abstract
This article points out a new aspect of approximate calculations of molecular potential curves. Two curves that cross in an exact solution of the electronic wave equation may avoid each other when an approximate method is used. This is in direct contradiction to the usual interpretation of the von Neumann-Wigner non-crossing rule. Examples of this behavior are shown in one-electron systems. The question is, to what extent are calculated avoidances real, and to what extent are they artifacts of incomplete calculations? We suggest that this question is unanswered at present and mention possible molecules for critical theoretical investigations.
Sign-in/Register to access full text options 
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a callDisclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.
