Abstract

This chapter discusses the relationship between exact wave functions and approximate wave functions, with emphasis on size-extensivity, the variation principle and symmetry restrictions. It describes important characteristic properties of the exact solution to the time-independent Schrödinger equation for a molecular electronic system. The exact wave function is size-extensive in the sense that, for a system containing non-interacting subsystems, the total energy is equal to the sum of the energies of the individual systems. The chapter examines two important theorems of quantum chemistry such as the Hellmann-Feynman theorem and the molecular virial theorem.

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 call

Disclaimer: 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.