In this paper, exact solutions of scattering states of the Klein-Gordon equation with Coulomb potential plus a new ring-shaped potential are studied under the condition that the scalar potential is equal to the vector...In this paper, exact solutions of scattering states of the Klein-Gordon equation with Coulomb potential plus a new ring-shaped potential are studied under the condition that the scalar potential is equal to the vector potential. The normalized wave functions of scattering states on the “k/27π scale” and the calculation formula of phase shifts are presented. Analytical properties of the scattering amplitude are discussed.展开更多
The singlet rigid Be--O dissociation potential energy curves correlating to the first four molecular limits of （BeH2O）^2＋ com- plex were calculated using the multi-reference single and double excitation configurati...The singlet rigid Be--O dissociation potential energy curves correlating to the first four molecular limits of （BeH2O）^2＋ com- plex were calculated using the multi-reference single and double excitation configuration interaction theory. The radial cou- plings of three low-lying IAl states were calculated and combined with adiabatic potential energy curves to investigate and charge- transfer collision dynamics by using quantum-mechanical molecular orbital close-coupling methods. It is found that the total charge-transfer cross sections are dominated by the Be^＋（^2S）＋H2O＋（A^2A1） channel. The rate coefficients in the range of 10^-17 - 10^-12 cm^3/s are very sensitive to temperature below 1000 K. The complexation energy without charge-transfer was determined to be 143.6 kcal/mol, including zero-point vibration energy corrections. This is in good agreement with the previous results.展开更多
基金The project supported by the Protessor and Doctor Foundation of Yancheng Teachers College
文摘In this paper, exact solutions of scattering states of the Klein-Gordon equation with Coulomb potential plus a new ring-shaped potential are studied under the condition that the scalar potential is equal to the vector potential. The normalized wave functions of scattering states on the “k/27π scale” and the calculation formula of phase shifts are presented. Analytical properties of the scattering amplitude are discussed.
文摘The singlet rigid Be--O dissociation potential energy curves correlating to the first four molecular limits of （BeH2O）^2＋ com- plex were calculated using the multi-reference single and double excitation configuration interaction theory. The radial cou- plings of three low-lying IAl states were calculated and combined with adiabatic potential energy curves to investigate and charge- transfer collision dynamics by using quantum-mechanical molecular orbital close-coupling methods. It is found that the total charge-transfer cross sections are dominated by the Be^＋（^2S）＋H2O＋（A^2A1） channel. The rate coefficients in the range of 10^-17 - 10^-12 cm^3/s are very sensitive to temperature below 1000 K. The complexation energy without charge-transfer was determined to be 143.6 kcal/mol, including zero-point vibration energy corrections. This is in good agreement with the previous results.
