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在单电子近似下,对核外一个电子的运动状态可用四个量子数来描述。众所周知电子在核外的排布服从保里原理、能量最低原理和洪特规则。这种电子排布说明了原子中单个电子的状态,但还不足以说明整体的原子状态。对于原子状态我们可以用原子光谱项来描述。因此要研究原子的整体状态,首先必须求得原子的谱项。但是经验告诉我们,推求多电子原子的各种电子组态的光谱项是一项相当烦琐的工作。虽然用群的不可约表示方法可求得组态(ns)~N、(np)~N、(nd)~N和(nf)~N的光谱项,但求非等价电子的各种组态的光谱项仍然是一件烦琐的事。并且对于含有g电子的各种组态的光谱项也不易求得。鉴于这一原因,并且为了配合结构化学课程的教学和学习,我们用FORTRAN语言编制了推求多电子原子的各种电子组态的光谱项程序。
In the single-electron approximation, an electronic state of motion outside the nucleus can be described by four quantum numbers. It is well-known that the arrangement of electrons outside the nuclear follows the Pauli principle, the principle of the lowest energy, and the Hunt Rule. This electron arrangement illustrates the state of a single electron in an atom, but not enough to show the overall atomic state. For the atomic state we can use atomic spectral terms to describe. Therefore, to study the overall state of the atom, we must first obtain the spectral terms of the atom. But experience tells us that it is a tedious task to deduce the spectra of the various electronic configurations of multiple-electron atoms. Although the spectral terms of (ns) ~N, (np) ~N, (nd) ~N and (nf) ~N can be obtained by the irreducible representation of a group, The state of the spectrum is still a cumbersome thing. And for the various configurations of the spectrum containing g-electron is not easy to find. For this reason, and in conjunction with the teaching and learning of structural chemistry courses, we have compiled a spectrogram program for inferring the various electronic configurations of multi-electron atoms in the FORTRAN language.