Abstract

A Coulomb density is special because it determines not only its Hamiltonian but the degree of excitation as well. We derive Euler equations for excited-state energies and densities that depend only on the electron density. Unlike existing formulations, additional functions and indices are not required; with these functionals, the equations of excited-state density functional theory strongly resemble those of ground-state theory. A critical analysis of the new functionals is included.

Full Text
Paper version not known

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.