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Carbon tetrafluoride (CF4)

Cross Sections
 
Incident electron energy, T = eV


Graph of BEB Cross Section

Table of BEB Cross Sections at Specific Energies in HTML or ASCII


 
Calculation Notes
The BEB cross section in principle includes neutral dissociation and ionization, and hence should be higher then experimental ionization cross section, if high-quality molecular wave functions are used. For CF4, the BEB cross sections from correlated wave functions (denoted as CAS [complete active space] wave functions) are larger than the experimental cross section measured by Nishimura and included in Ref. [6]. The MO constants cited below will lead to the total ionization cross section marked BEB from a RHF [restricted Hartree-Fock] wave function.

 
Molecular Orbital Constants

Mol.
Orbital
B (eV) U (eV) N Q Double
Ion.
Special
Calc.
Remarks
1t2 717.60 1013.30 6 1 No none none
1a1 717.60 1013.32 2 1 No none none
2a1 315.90 436.49 2 1 No none none
3a1 49.67 87.70 2 1 Yes none none
2t2 45.93 104.34 6 1 Yes none none
4a1 27.65 87.84 2 1 No none none
3t2 24.54 76.00 6 1 No none none
1e 20.94 83.44 4 1 No none none
4t2 19.43 89.66 6 1 No none none
1t1 16.20 95.58 6 1 No none none
B: Binding Energy
U: Average Kinetic Energy
N: Electron Occupation Number
Q: Dipole Constant
Double Ion.: Double Ionization Included
Special Calc.: Modified BEB theory (if appropriate)

ASCII Table of Molecular Orbital Constants

Chemical Structure and Data from the NIST Chemistry WebBook


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