采用体心坐标系下振动密耦合方法研究低能电子与H2分子高振动激发散射的动量迁移截面(momen-tum transfer cross section,MTCS)。通过对包含18个振动态、8个分波和16个分子对称性的研究,得到了收敛的密耦合框架下的v=0→v′=5,6,7,8,9,1...采用体心坐标系下振动密耦合方法研究低能电子与H2分子高振动激发散射的动量迁移截面(momen-tum transfer cross section,MTCS)。通过对包含18个振动态、8个分波和16个分子对称性的研究,得到了收敛的密耦合框架下的v=0→v′=5,6,7,8,9,10等几个振动跃迁通道的动量迁移截面值,为进一步精确研究低能电子与H2分子的相互作用机理奠定了基础。展开更多
The photon-excited NO2 at 308 nm has been investigated by Tha-Resolved FTIR spectroscopy. The IR fluorescence from highly excited NO2(X2 A1) in u1 vibrational mode has been observed. These excited states are resulted ...The photon-excited NO2 at 308 nm has been investigated by Tha-Resolved FTIR spectroscopy. The IR fluorescence from highly excited NO2(X2 A1) in u1 vibrational mode has been observed. These excited states are resulted from the strong vibronic mix ing of electronic excited A2 B2/B2 B1 states with the grou-nd X2 A1 state. It is considered that symmetric stretching v1 mode is reserved from the photolysis because its vibrational style is unsuitable for dissociation.展开更多
The excited vibrational states of the ozone molecule are studied using the vibrationally self-consistent field-configuration interaction (SCF-CI) procedure. In order to reproduce the observed vibrational band origins ...The excited vibrational states of the ozone molecule are studied using the vibrationally self-consistent field-configuration interaction (SCF-CI) procedure. In order to reproduce the observed vibrational band origins well, the potential energy surface for the electronic ground state of O3 is optimized using the recently observed vibrational band origins up to 4400 cm-1. The root-mean-square error of this fitting for the 30 observed vibrational energy levels is 0.47 cm-1.All the calculated band origins are within 1.0 cm-1 of the observed values.展开更多
The highly excited vibrational states of quasi-linear tetraatomic molecule HCNO are studied in the framework of U(4) algebra. By using symmetric group with which the tetraatomic molecules satisfy, we construct the alg...The highly excited vibrational states of quasi-linear tetraatomic molecule HCNO are studied in the framework of U(4) algebra. By using symmetric group with which the tetraatomic molecules satisfy, we construct the algebraic Hamiltonian that not only includes Majorana operator M 12 but also M 13 and M 23 which are very useful for getting potential energy surface and force constants in Lie algebra method. And the eigenvalue of the Hamiltonian are obtained by Lie algebra treatment.展开更多
文摘采用体心坐标系下振动密耦合方法研究低能电子与H2分子高振动激发散射的动量迁移截面(momen-tum transfer cross section,MTCS)。通过对包含18个振动态、8个分波和16个分子对称性的研究,得到了收敛的密耦合框架下的v=0→v′=5,6,7,8,9,10等几个振动跃迁通道的动量迁移截面值,为进一步精确研究低能电子与H2分子的相互作用机理奠定了基础。
文摘The photon-excited NO2 at 308 nm has been investigated by Tha-Resolved FTIR spectroscopy. The IR fluorescence from highly excited NO2(X2 A1) in u1 vibrational mode has been observed. These excited states are resulted from the strong vibronic mix ing of electronic excited A2 B2/B2 B1 states with the grou-nd X2 A1 state. It is considered that symmetric stretching v1 mode is reserved from the photolysis because its vibrational style is unsuitable for dissociation.
文摘The excited vibrational states of the ozone molecule are studied using the vibrationally self-consistent field-configuration interaction (SCF-CI) procedure. In order to reproduce the observed vibrational band origins well, the potential energy surface for the electronic ground state of O3 is optimized using the recently observed vibrational band origins up to 4400 cm-1. The root-mean-square error of this fitting for the 30 observed vibrational energy levels is 0.47 cm-1.All the calculated band origins are within 1.0 cm-1 of the observed values.
文摘The highly excited vibrational states of quasi-linear tetraatomic molecule HCNO are studied in the framework of U(4) algebra. By using symmetric group with which the tetraatomic molecules satisfy, we construct the algebraic Hamiltonian that not only includes Majorana operator M 12 but also M 13 and M 23 which are very useful for getting potential energy surface and force constants in Lie algebra method. And the eigenvalue of the Hamiltonian are obtained by Lie algebra treatment.
