Monte-Carlo fitting and its application in electron momentum spectroscopy data processing

摘要: A new Monte-Carlo （M-C） curve fitting algorithm which is more stable than other iterative algorithms presented, and it used to improve the unsatisfactory results of data electron momentum spectroscopy（EMS） experiment due serious overlap adjacent peaks orbital energy resulting from poor resolution. The VB program this method has been compiled. EMS CF 2 Br using M-C compared with one PeakFit software, based on Levenberg-Marquardt algorithm, shows much better effect. Furthermore, ordering four outer valence orbitals（4b , 2a 4b 1 6a ） assigned, suports conclusion Hartree-Fock OVGF calculation revises assignment PES.