What Does SXNO Stand For?

SXNO stands for Singly Excited Natural Orbital

SXNO, or Singly Excited Natural Orbital, refers to a specific type of electronic state in quantum chemistry and molecular physics. It represents an orbital that has been occupied by a single electron after an excitation process, distinguishing it from both fully occupied and unoccupied orbitals. SXNOs are utilized in various computational methods to describe electronic configurations and can play a crucial role in understanding electronic transitions, spectroscopy, and reaction dynamics within molecular systems.