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簇 相关科技名词
- 跃迁能transition energy
- 哈特里-福克自洽场方法Hartree-Fock SCF method
- 独立电子近似independent electron approximation
- 价电子近似valence electron approximation
- 价态电离势valence-state ionization potential
- 电偶极跃迁electric dipole transition
- 电四极矩electric quadrupole moment
- 电子给体electron donor
- 电子受体electron acceptor
- 电子相关electron correlation
- 自由电子模型free electron model
- 电负性electronegativity
- 反对称波函数antisymmetrical wave function
- 偶极-偶极相互作用dipole-dipole interaction
- 偶极-四极相互作用dipole-quadrupole interaction
- 离域能delocalization energy
- 定域能localization energy
- 分子积分molecular integral
- 分子轨道图形理论graph theory of molecular orbitals
- 相关图correlation diagram
- 相关能correlation energy
- 长程力long range force
- 短程力short range force
- 共振论resonance theory
- 变分法variation method
- 休克尔分子轨道法Hu&4&ckel molecular orbital method;HMO
- 推广的休克尔分子轨道法extended Hu&4&ckel molecular orbital method;EHMO
- 哈特里-福克极限Hartree-Fock limit
- 哈特里-福克-罗特汉方程Hartree-Fock-Roothaan equation
- 全略微分重叠法complete neglect of differential overlap method;CNDO
- 间略微分重叠法intermediate neglect of differen tial overlap method;INDO
- 耦合电子对近似couple-electron pair approximation;CEPA
- 组态相互作用configuration interaction
- 自然轨道natural orbital
- 耦合电子对多电子理论coupled-pair many-electron theory;CPMET
- 独立电子对近似independent electron pair approximation;IEPA
- 超分子方法supermolecule approach
- 基组basis set
- 相对论效应relativistic effect
- 激发组态excited configuration
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