The energy levels of a hydrogen atom, derived by Bohr, are known to be approximations. This is because the classical quantum theory of Bohr does not take the theory of relativity into account. In this paper, the kinet...The energy levels of a hydrogen atom, derived by Bohr, are known to be approximations. This is because the classical quantum theory of Bohr does not take the theory of relativity into account. In this paper, the kinetic energy and momentum of an electron in a hydrogen atom are treated relativistically. A clearer argument is developed while also referring to papers published in the past. The energy levels of a hydrogen atom predicted by this paper almost match the theoretical values of Bohr. It is difficult to experimentally distinguish the two. However, this paper predicts the existence of an n = 0 energy level that cannot be predicted even with Dirac’s relativistic quantum mechanics. The only quantum number treated in this paper is n. This point falls far short of a finished quantum mechanics. However, even in discussion at the level of this paper, it can be concluded that quantum mechanics is an incomplete theory.展开更多
The hydrogen-bonded interaction between acylamine and chloromethane was studied using theoretical calculation methods. Looking the interaction system as a hydrogen-bonded complex, the geometric optimization of the int...The hydrogen-bonded interaction between acylamine and chloromethane was studied using theoretical calculation methods. Looking the interaction system as a hydrogen-bonded complex, the geometric optimization of the interaction system was performed with HF and B3LYP methods at 6-311＋＋G^＊＊ level. Stable structures of these complexes were obtained. Binding energies and some other physical chemistry parameters of them were computed and compared. According to the calculation results, it can be identified that DMA （DMF or DEF） can form stable complex with chloromethane by the hydrogen-bonded interaction between them. The stable orders of these hydrogen-bonded complexes were obtained and described as： DMF-CHCl3〉DMF-CH2Cl2〉 DMF-CH3Cl, DEF-CHCl3 〉 DEF-CH2Cl2 〉 DEF-CH3Cl, DMA-CHCl3 〉 DMA-CH2Cl2 〉 DMA-CH3Cl, respectively.展开更多
文摘The energy levels of a hydrogen atom, derived by Bohr, are known to be approximations. This is because the classical quantum theory of Bohr does not take the theory of relativity into account. In this paper, the kinetic energy and momentum of an electron in a hydrogen atom are treated relativistically. A clearer argument is developed while also referring to papers published in the past. The energy levels of a hydrogen atom predicted by this paper almost match the theoretical values of Bohr. It is difficult to experimentally distinguish the two. However, this paper predicts the existence of an n = 0 energy level that cannot be predicted even with Dirac’s relativistic quantum mechanics. The only quantum number treated in this paper is n. This point falls far short of a finished quantum mechanics. However, even in discussion at the level of this paper, it can be concluded that quantum mechanics is an incomplete theory.
文摘The hydrogen-bonded interaction between acylamine and chloromethane was studied using theoretical calculation methods. Looking the interaction system as a hydrogen-bonded complex, the geometric optimization of the interaction system was performed with HF and B3LYP methods at 6-311＋＋G^＊＊ level. Stable structures of these complexes were obtained. Binding energies and some other physical chemistry parameters of them were computed and compared. According to the calculation results, it can be identified that DMA （DMF or DEF） can form stable complex with chloromethane by the hydrogen-bonded interaction between them. The stable orders of these hydrogen-bonded complexes were obtained and described as： DMF-CHCl3〉DMF-CH2Cl2〉 DMF-CH3Cl, DEF-CHCl3 〉 DEF-CH2Cl2 〉 DEF-CH3Cl, DMA-CHCl3 〉 DMA-CH2Cl2 〉 DMA-CH3Cl, respectively.
