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Anne_Lin新蟲 (初入文壇)
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[交流]
怎么用FAC算碰撞截面
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求助怎么用FAC算離子的碰撞激發(fā)截面呀 發(fā)自小木蟲Android客戶端 |
木蟲 (正式寫手)
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the number before the parenthesis is the number of electrons of the subshell. e.g., 2p+3 is 3 electrons on 2p+ shell, or 2p_3/2 the number in the parenthesis is the total angular momentum of the subshell. the number after is the total angular momentum after coupling all previous subshells. Kappa =Orbital symmetries (emitted) |
木蟲 (正式寫手)
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-bash-4.2$ more Fe+2_eii.sf # calculate the electron impact ionization cross sections of Fe+2 # # Fe: 1s(2) 2s(2) 2p(6) 3s(2) 3p(6) 3d(6) 4s(2) # # # Fe+2: [Ar] 3d6 # # SetAtom('Fe') # 1s shell is closed Closed('1s 3s 3p') # Cr-like ground state Config('2*8 3d6', group='fe17') # V-like configuations Config('2*7 3d6', group='fe18') # solve the structure problem ConfigEnergy(0) OptimizeRadial(['fe17']) ConfigEnergy(1) Structure('Fe+2_f.lev.b', ['fe17']) Structure('Fe+2_f.lev.b', ['fe18']) MemENTable('Fe+2_f.lev.b') PrintTable('Fe+2_f.lev.b', 'Fe+2_f.lev', 1) # set the output collision energies e = [500.0, 800.0, 1.0e3, 1.5e3, 2.0e3, 3.0e3, 4.2e3, 5.0e3, 6.0e3, 8.0e3, 10.0e3] SetUsrCIEGrid($e) CITable('Fe+2.ci.b', ['fe17'], ['fe18']) PrintTable('Fe+2.ci.b', 'Fe+2.ci', 1) |
新蟲 (初入文壇)
新蟲 (初入文壇)
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