Author/Authors :
Su، نويسنده , , G.L. and Ning، نويسنده , , C.G. and Zhang، نويسنده , , S.F. and Ren، نويسنده , , X.G. and Zhou، نويسنده , , H. and Li، نويسنده , , B. and Huang، نويسنده , , F. and Li، نويسنده , , G.Q. and Deng، نويسنده , , J.K. and Wang، نويسنده , , Y.، نويسنده ,
Abstract :
The highest occupied molecular orbital (HOMO)of difluoromethane (CH2F2) has been firstly studied by binary (e, 2e) electron momentum spectroscopy (EMS), at the impact energy of 1200 eV plus binding energy, and using symmetric non-coplanar kinematics. The experimental momentum profile of the HOMO is compared with Hartree–Fock (HF)and density functional theory (DFT) methods with various basis sets. The experimental measurement is well described by the HF and DFT calculations except for the low-momentum region.
