Using the asymptotic iteration method, we obtain the S-wave solution for a short-range three-parameter central potential with 1/r singularity and with a non-orbital barrier. To the best of our knowledge, this is the f...Using the asymptotic iteration method, we obtain the S-wave solution for a short-range three-parameter central potential with 1/r singularity and with a non-orbital barrier. To the best of our knowledge, this is the first attempt at calculating the energy spectrum for this potential, which was introduced by H. Bahlouli and A. D. Alhaidari and for which they obtained the “potential parameter spectrum”. Our results are also independently verified using a direct method of diagonalizing the Hamiltonian matrix in the J-matrix basis.展开更多
The potential energy curves (PECs) of the 3Π states of GaX (X=F, Cl, and Br) molecules are calculated using the multireference configuration interaction method with a large contracted basis set aug-cc-pV5Z. The P...The potential energy curves (PECs) of the 3Π states of GaX (X=F, Cl, and Br) molecules are calculated using the multireference configuration interaction method with a large contracted basis set aug-cc-pV5Z. The PECs are accurately fitted to analytical potential energy functions (APEFs) using the Murrell–Sorbie potential function. The spectroscopic parameters for the states are determined using the obtained APEFs, and compared with the theoretical and experimental data available presently in the literature.展开更多
The Vrancea subcrustal earthquakes of August 30,1986 and May 30,1990 are the two most recent seismic events that have occurred in Romania with moment magnitudes M W ≥ 6.9.The spectral analysis of the strong ground mo...The Vrancea subcrustal earthquakes of August 30,1986 and May 30,1990 are the two most recent seismic events that have occurred in Romania with moment magnitudes M W ≥ 6.9.The spectral analysis of the strong ground motions recorded in Bucharest reveals that despite small differences in magnitude between the 1986 and 1990 earthquakes,their frequency contents are very different,sometimes even opposing.The main focus of this study is to conduct a comparative analysis of the response spectra in terms of the bi-normalized response spectra(BNRS) proposed by Xu and Xie(2004 and 2007) for strong ground motions recorded in Bucharest during these two seismic events.The mean absolute acceleration and relative velocity response spectra for the two earthquakes are discussed and compared.Furthermore,the mean bi-normalized absolute acceleration and normalized relative velocity response spectra with respect to the control period T C are computed for the ground motions recorded in Bucharest in 1986 and 1990.The predominant period T P is also used in this study for the normalization of the spectral period axis.Subsequently,the methodology proposed by Martinez-Perreira and Bommer(1998) is applied in order to estimate the seismic intensity of the two events.The results are discussed and several conclusions regarding the possibility of using the bi-normalized response spectra(BNRS) are given.展开更多
Multi-reference configuration interaction is used to produce potential energy curves (PECs) for the excited B1FI state of KH molecule. To investigate the correlation effect of core-valence electrons, five schemes ar...Multi-reference configuration interaction is used to produce potential energy curves (PECs) for the excited B1FI state of KH molecule. To investigate the correlation effect of core-valence electrons, five schemes are employed which include the different correlated electrons and different active spaces. The PECs are fitted into analytical potential energy functions (APEFs). The spectroscopic parameters, ro-vibrational levels, and transition frequencies are determined based on the APEFs and compared with available experimental and theoretical data. The molecular properties for B1II obtained in this letter, which are better than those available in literature, can be reproduced with calculations using the suitable correlated electrons and active space of orbitals.展开更多
文摘Using the asymptotic iteration method, we obtain the S-wave solution for a short-range three-parameter central potential with 1/r singularity and with a non-orbital barrier. To the best of our knowledge, this is the first attempt at calculating the energy spectrum for this potential, which was introduced by H. Bahlouli and A. D. Alhaidari and for which they obtained the “potential parameter spectrum”. Our results are also independently verified using a direct method of diagonalizing the Hamiltonian matrix in the J-matrix basis.
基金Project supported by the National Natural Science Foundation of China(Grant Nos.11174117 and 10974078)the Program for Scientific Research Innova-tion Team in Colleges and Universities of Shandong Province,China
文摘The potential energy curves (PECs) of the 3Π states of GaX (X=F, Cl, and Br) molecules are calculated using the multireference configuration interaction method with a large contracted basis set aug-cc-pV5Z. The PECs are accurately fitted to analytical potential energy functions (APEFs) using the Murrell–Sorbie potential function. The spectroscopic parameters for the states are determined using the obtained APEFs, and compared with the theoretical and experimental data available presently in the literature.
基金provided by the Romanian National Authority for Scientific Research (ANCS) under Grant Number 72/2012
文摘The Vrancea subcrustal earthquakes of August 30,1986 and May 30,1990 are the two most recent seismic events that have occurred in Romania with moment magnitudes M W ≥ 6.9.The spectral analysis of the strong ground motions recorded in Bucharest reveals that despite small differences in magnitude between the 1986 and 1990 earthquakes,their frequency contents are very different,sometimes even opposing.The main focus of this study is to conduct a comparative analysis of the response spectra in terms of the bi-normalized response spectra(BNRS) proposed by Xu and Xie(2004 and 2007) for strong ground motions recorded in Bucharest during these two seismic events.The mean absolute acceleration and relative velocity response spectra for the two earthquakes are discussed and compared.Furthermore,the mean bi-normalized absolute acceleration and normalized relative velocity response spectra with respect to the control period T C are computed for the ground motions recorded in Bucharest in 1986 and 1990.The predominant period T P is also used in this study for the normalization of the spectral period axis.Subsequently,the methodology proposed by Martinez-Perreira and Bommer(1998) is applied in order to estimate the seismic intensity of the two events.The results are discussed and several conclusions regarding the possibility of using the bi-normalized response spectra(BNRS) are given.
基金supported by the National Natural Science Foundation of China (Nos. 10974078,10674114,and 10874104)the Research Fund for the Doctoral Program of Higher Education of China (No.20093704110001)
文摘Multi-reference configuration interaction is used to produce potential energy curves (PECs) for the excited B1FI state of KH molecule. To investigate the correlation effect of core-valence electrons, five schemes are employed which include the different correlated electrons and different active spaces. The PECs are fitted into analytical potential energy functions (APEFs). The spectroscopic parameters, ro-vibrational levels, and transition frequencies are determined based on the APEFs and compared with available experimental and theoretical data. The molecular properties for B1II obtained in this letter, which are better than those available in literature, can be reproduced with calculations using the suitable correlated electrons and active space of orbitals.