The symmetry-adapted-duster configuration-interaction method is used to investigate the spectroscopicproperties of ~7Li_2(A^1∑_u^+) over the internuclear distance ranging from 2.4ao to 37ao.The complete potential ene...The symmetry-adapted-duster configuration-interaction method is used to investigate the spectroscopicproperties of ~7Li_2(A^1∑_u^+) over the internuclear distance ranging from 2.4ao to 37ao.The complete potential energycurves are calculated at numbers of basis sets.All the ab initio calculated points are fitted to the analytic MurrellSorbie function and then employed to compute the spectroscopic constants.By comparison,the spectroscopic constantsreproduced by the potential attained at D95(3df,3pd) are found to be very close to the experiments,a^d the values (T_e,D_e,R_e,ω_e,ω_eχ_e,α_e and B_e) are of 1.732 93 eV,1.161 36 eV,0.313 27 nm,251.95 cm^(-1),1.623 cm^(-1),0.005 35 cm^(-1),and0.490 cm^(-1),respectively.With the potential obtained at D95(3df,3pd),the totally 75 vibrational states are found whenJ=0.The vibrational levels,the classical turning points and the inertial rotation constants of the first 68 vibrationalstates are calculated for the first time and compared with the available measurements.Good agreement is obtained.The centrifugal distortion constants of the first 32 vibrational states are also reported for the first time.The reasonabledissociation limit for ~7Li_2(A^1∑_u^+) is deduced using the calculated results at present.展开更多
By using a function with a phase factor,a universal analytic potential energy function applied to the interactions between diatoms or molecules is derived and six kinds of potential curves of common shapes are obtaine...By using a function with a phase factor,a universal analytic potential energy function applied to the interactions between diatoms or molecules is derived and six kinds of potential curves of common shapes are obtained by adjusting the phase factor.The spectroscopic parameters of ten diatomic molecules are calculated by using the potential energy function;as a consequence,all calculation results are in good agreement with experimental data.展开更多
Using a field equation with a phase factor, a universal analytic potential-energy function applied to the interactions between diatoms or molecules is derived, and five kinds of potential curves of common shapes are o...Using a field equation with a phase factor, a universal analytic potential-energy function applied to the interactions between diatoms or molecules is derived, and five kinds of potential curves of common shapes are obtained adjusting the phase factors. The linear thermal expansion coefficients and Young’s moduli of eleven kinds of face-centered cubic (fcc) metals - Al, Cu, Ag, etc. are calculated using the potential-energy function; the computational results are quite consistent with experimental values. Moreover, an analytic relation between the linear thermal expansion coefficients and Young’s moduli of fcc metals is given using the potential-energy function. Finally, the force constants of fifty-five kinds of diatomic moleculars with low excitation state are computed using this theory, and they are quite consistent with RKR (Rydberg-Klein-Rees) experimental values.展开更多
In this paper,region reaching controller is designed for fully actuated ocean surface vessels to reach a desired target region instead of a point.There are not the requirements for both the pre-specified trajectory ou...In this paper,region reaching controller is designed for fully actuated ocean surface vessels to reach a desired target region instead of a point.There are not the requirements for both the pre-specified trajectory outside the desired region and the desired pinpoint position inside the desired region.The controller design is based on the potential energy function,backstepping recursive design methodology,and the Lyapnov stability analysis theory.If the target region is specified arbitrarily small,the target region reduces to a point,and hence the region reaching control can be a generalisation of the setpoint control.Simulation results are presented to illustrate the performance of the proposed controller.展开更多
基金The project supported by National Natural Science Foundation of China under Grant Nos.10574039 and 10174019
文摘The symmetry-adapted-duster configuration-interaction method is used to investigate the spectroscopicproperties of ~7Li_2(A^1∑_u^+) over the internuclear distance ranging from 2.4ao to 37ao.The complete potential energycurves are calculated at numbers of basis sets.All the ab initio calculated points are fitted to the analytic MurrellSorbie function and then employed to compute the spectroscopic constants.By comparison,the spectroscopic constantsreproduced by the potential attained at D95(3df,3pd) are found to be very close to the experiments,a^d the values (T_e,D_e,R_e,ω_e,ω_eχ_e,α_e and B_e) are of 1.732 93 eV,1.161 36 eV,0.313 27 nm,251.95 cm^(-1),1.623 cm^(-1),0.005 35 cm^(-1),and0.490 cm^(-1),respectively.With the potential obtained at D95(3df,3pd),the totally 75 vibrational states are found whenJ=0.The vibrational levels,the classical turning points and the inertial rotation constants of the first 68 vibrationalstates are calculated for the first time and compared with the available measurements.Good agreement is obtained.The centrifugal distortion constants of the first 32 vibrational states are also reported for the first time.The reasonabledissociation limit for ~7Li_2(A^1∑_u^+) is deduced using the calculated results at present.
基金This work was supported by the National Natural Science Foundation of China(No.40274044)
文摘By using a function with a phase factor,a universal analytic potential energy function applied to the interactions between diatoms or molecules is derived and six kinds of potential curves of common shapes are obtained by adjusting the phase factor.The spectroscopic parameters of ten diatomic molecules are calculated by using the potential energy function;as a consequence,all calculation results are in good agreement with experimental data.
基金This work was supported by the National Natural Science Foundation of China (No. 40274044).
文摘Using a field equation with a phase factor, a universal analytic potential-energy function applied to the interactions between diatoms or molecules is derived, and five kinds of potential curves of common shapes are obtained adjusting the phase factors. The linear thermal expansion coefficients and Young’s moduli of eleven kinds of face-centered cubic (fcc) metals - Al, Cu, Ag, etc. are calculated using the potential-energy function; the computational results are quite consistent with experimental values. Moreover, an analytic relation between the linear thermal expansion coefficients and Young’s moduli of fcc metals is given using the potential-energy function. Finally, the force constants of fifty-five kinds of diatomic moleculars with low excitation state are computed using this theory, and they are quite consistent with RKR (Rydberg-Klein-Rees) experimental values.
基金This work is supported by the Natural Science Foundation of China under Grant Number 51775329the Shanghai Natural Science Foundation of China under Grant Number 10.13039/10000721919ZR1422800the Open Project Program of the state key laboratory of engines(Tianjin University)under Grant Number K2019-14.
文摘In this paper,region reaching controller is designed for fully actuated ocean surface vessels to reach a desired target region instead of a point.There are not the requirements for both the pre-specified trajectory outside the desired region and the desired pinpoint position inside the desired region.The controller design is based on the potential energy function,backstepping recursive design methodology,and the Lyapnov stability analysis theory.If the target region is specified arbitrarily small,the target region reduces to a point,and hence the region reaching control can be a generalisation of the setpoint control.Simulation results are presented to illustrate the performance of the proposed controller.