F22分子6a′,4a″和3a″轨道的电子动量谱研究

An Electron Momentum Spectroscopy Investigation on Chlorodifluoromethan e′s Outer Valence Orbitals of 6a′, 4a″ and 3a″

摘要: 在 1 2 0 0eV入射能量下测量了F2 2分子轨道 6a′,4a″和 3a″的电子动量谱 ,并与用Hartree Fock和密度泛函方法选取不同基组的理论计算结果进行了比较.At impact energy of 1 200 eV plus binding energy and symmet ri c non-coplanar geometry, the electron momentum spectra of chlorodifluoromet hane′s outer valence orbitals of 6a′, 4a″ and 3a″ have been meas ured by binary (e, 2e) electron momentum spectroscopy. The experimental momentum profiles for the different orbitals are compared with Hartree-Fock (HF) and de nsity functional theory (DFT) calculations using different-sized basis sets.

Abstract: At impact energy of 1 200 eV plus binding energy and symmet ri c non-coplanar geometry, the electron momentum spectra of chlorodifluoromet hane′s outer valence orbitals of 6a′, 4a″ and 3a″ have been meas ured by binary (e, 2e) electron momentum spectroscopy. The experimental momentum profiles for the different orbitals are compared with Hartree-Fock (HF) and de nsity functional theory (DFT) calculations using different-sized basis sets.