We investigate the rotating wave approximation applied in the high-spin quantum system driven by a linearly polarized alternating magnetic field in the presence of quadrupole interactions.The conventional way to apply...We investigate the rotating wave approximation applied in the high-spin quantum system driven by a linearly polarized alternating magnetic field in the presence of quadrupole interactions.The conventional way to apply the rotating wave approximation in a driven high-spin system is to assume the dynamics being restricted in the reduced Hilbert space.However,when the driving strength is relatively strong or the driving is off resonant,the leakage from the target resonance subspace cannot be neglected for a multi-level quantum system.We propose the correct formalism to apply the rotating wave approximation in the full Hilbert space by taking this leakage into account.By estimating the operator fidelity of the time propagator,our formalism applied in the full Hilbert space unambiguously manifests great advantages over the conventional method applied in the reduced Hilbert space.展开更多
Novel stable high-spin molecules possessing three different arranging fashions were designed with —^＊N—S— as a spin-containing （SC） fragment, an aromatic group, such as benzene （ 1 ）, pyridine （2）, pyridazi...Novel stable high-spin molecules possessing three different arranging fashions were designed with —^＊N—S— as a spin-containing （SC） fragment, an aromatic group, such as benzene （ 1 ）, pyridine （2）, pyridazine （3） , pyrimidine （4）, pyrazine （5） or triazine （6） as end groups （EG）, and phenyl as a ferromagnetic coupling （FC） unit. The effects of different EG on the spin multiplicities of the ground states and their stabilities were investigated by means of the AM1-CI approach. All the investigated molecules corresponded to the FC and possessed high-spin ground states. The spin on the two atoms of the SC fragment was not in agreement with the delocalization results in the specific stability of —^＊N—S—. In those molecules, the stabilities of the triplet states decreased when the distance between the atoms of central SC fragments （—N—） increased. The stabilities of the triplet states of compounds 1a-n, 1b-n and 1c-n, with heterocycles as EG were higher than those of the triplet states of those compounds with phenyl as EG. Furthermore, the stahilities of the triplet states of the compounds with pyrimidine and triazine as EG were higher than those with pyridine, pyridazine or pyrasine as EG.展开更多
Novel stable high spin molecules possessing three different arranged fashions are designed with - · N-N< as a spin-containing(SC) fragment, phenylene as an end group and various aromatic molecules, such as ben...Novel stable high spin molecules possessing three different arranged fashions are designed with - · N-N< as a spin-containing(SC) fragment, phenylene as an end group and various aromatic molecules, such as benzene(1), 2,6-pyridine(2), 3,5-pyridine(3), pyridazine(4), 4,6-pyrimidine(5), 2,6-pyrimidine(6), pyrazine(7) and triazine(8), as a ferromagnetic coupling(FC) unit. The effects of the different coupling units on the spin multiplicities of the ground states and their stabilities were investigated by means of AM1-CI approach. It has been found that the spin densities on the two atoms of the SC fragment are different from delocalization results in the specific stability of - · N-N<. In these molecules, the stabilities of the triplet states decrease when the distance between the atoms of central SC(-N-) increases. It is shown that the heterocycles as the coupling units have influence on the stabilities of the high-spin ground states. That the heteroatom lying in m -phenyl can improve ferromagnetic coupling, while the heteroatom lying in o -phenyl or p -phenyl is not in favor of the ferromagnetic coupling.展开更多
A truncated shell model approach is applied to the description of high-spinstates for <sup>162</sup>Hf and <sup>164</sup>Hf isotopes.The backbends of the moment of inertia are repro-duced well ...A truncated shell model approach is applied to the description of high-spinstates for <sup>162</sup>Hf and <sup>164</sup>Hf isotopes.The backbends of the moment of inertia are repro-duced well by the calculation.The results show that the approach is able to investigatethe yrast states of nuclei in rare earth region.展开更多
Phase-frequency characte ristics of approximate sinusoidal geomagnetic signals can be used fo r projectile roll positioning and other high-precision trajectory correction applications.The sinusoidal geomagnetic signal...Phase-frequency characte ristics of approximate sinusoidal geomagnetic signals can be used fo r projectile roll positioning and other high-precision trajectory correction applications.The sinusoidal geomagnetic signal deforms in the exposed and magnetically contaminated environment.In order to preciously recognize the roll information and effectively separate the noise component from the original geomagnetic sequence,based on the error source analysis,we propose a moving horizon based wavelet de-noising method for the dual-observed geomagnetic signal filtering where the captured rough roll frequency value provides reasonable wavelet decomposition and reconstruction level selection basis for sampled sequence;a moving horizon window guarantees real-time performance and non-cumulative calculation amount.The complete geomagnetic data in full ballistic range and three intercepted paragraphs are used for performance assessment.The positioning performance of the moving horizon wavelet de-noising method is compared with the band-pass filter.The results show that both noise reduction techniques improve the positioning accuracy while the wavelet de-noising method is always better than the band-pass filter.These results suggest that the proposed moving horizon based wavelet de-noising method of the dual-observed geomagnetic signal is more applicable for various launch conditions with better positioning performance.展开更多
The effect of the conformation on the spin multiplicity of the ground state and the stability of the ground state were investigated for m-phenylene type of biradicals by means of comparative study with DFT, CASSCF and...The effect of the conformation on the spin multiplicity of the ground state and the stability of the ground state were investigated for m-phenylene type of biradicals by means of comparative study with DFT, CASSCF and AM1-CI approaches. It was found that AM1-CI approach is reliable in dealing with the stability of the high-spin ground state with the change of conformation; DFT method can give the reasonable results of the spin density of the high-spin state. Furthermore, when one or two radical centers are twisted sufficiently out of the conjugation with the benzene ring, m-phenylene turns into weak ferromagnetic and weak antiferromagnetic coupling units, respectively.展开更多
Here a direct calculation of the dipolar interaction in a single crystal Mn12, with all of Mn ions summed, shows that a transition between ferromagnetic and antiferromagnetic ground states takes place where the dimens...Here a direct calculation of the dipolar interaction in a single crystal Mn12, with all of Mn ions summed, shows that a transition between ferromagnetic and antiferromagnetic ground states takes place where the dimension along the α（b） axis versus the dimension along the c axis reaches a certain critical value. It is shown that the w ~ ~ ground state is dependent upon the shape of the specimen. The reason of the shape dependence of ordering is that dipolar interaction is of long-range nature and the sign of dipolar interaction is dependent on the direction.展开更多
基金the National Key Research and Development Program of China(Grant Nos.2017YFA0304202 and 2017YFA0205700)the National Natural Science Foundation of China(Grant Nos.11875231 and 11935012)the Fundamental Research Funds for the Central Universities(Grant No.2018FZA3005).
文摘We investigate the rotating wave approximation applied in the high-spin quantum system driven by a linearly polarized alternating magnetic field in the presence of quadrupole interactions.The conventional way to apply the rotating wave approximation in a driven high-spin system is to assume the dynamics being restricted in the reduced Hilbert space.However,when the driving strength is relatively strong or the driving is off resonant,the leakage from the target resonance subspace cannot be neglected for a multi-level quantum system.We propose the correct formalism to apply the rotating wave approximation in the full Hilbert space by taking this leakage into account.By estimating the operator fidelity of the time propagator,our formalism applied in the full Hilbert space unambiguously manifests great advantages over the conventional method applied in the reduced Hilbert space.
基金Supported by the National Natural Science Foundation of Chana(Nos. 29804002, 20274006) and Tianjin Polytechnic Univer-sity Item(Nos. 029307, 029302).
文摘Novel stable high-spin molecules possessing three different arranging fashions were designed with —^＊N—S— as a spin-containing （SC） fragment, an aromatic group, such as benzene （ 1 ）, pyridine （2）, pyridazine （3） , pyrimidine （4）, pyrazine （5） or triazine （6） as end groups （EG）, and phenyl as a ferromagnetic coupling （FC） unit. The effects of different EG on the spin multiplicities of the ground states and their stabilities were investigated by means of the AM1-CI approach. All the investigated molecules corresponded to the FC and possessed high-spin ground states. The spin on the two atoms of the SC fragment was not in agreement with the delocalization results in the specific stability of —^＊N—S—. In those molecules, the stabilities of the triplet states decreased when the distance between the atoms of central SC fragments （—N—） increased. The stabilities of the triplet states of compounds 1a-n, 1b-n and 1c-n, with heterocycles as EG were higher than those of the triplet states of those compounds with phenyl as EG. Furthermore, the stahilities of the triplet states of the compounds with pyrimidine and triazine as EG were higher than those with pyridine, pyridazine or pyrasine as EG.
基金Supported by the National Natural Science Foundation of China( No.2 980 4 0 0 2,2 0 2 74 0 0 6 ) ,FokYingTungEducationFoundation( No.710 13) and Foundation of Northeast Normal University( No.1114 34)
文摘Novel stable high spin molecules possessing three different arranged fashions are designed with - · N-N< as a spin-containing(SC) fragment, phenylene as an end group and various aromatic molecules, such as benzene(1), 2,6-pyridine(2), 3,5-pyridine(3), pyridazine(4), 4,6-pyrimidine(5), 2,6-pyrimidine(6), pyrazine(7) and triazine(8), as a ferromagnetic coupling(FC) unit. The effects of the different coupling units on the spin multiplicities of the ground states and their stabilities were investigated by means of AM1-CI approach. It has been found that the spin densities on the two atoms of the SC fragment are different from delocalization results in the specific stability of - · N-N<. In these molecules, the stabilities of the triplet states decrease when the distance between the atoms of central SC(-N-) increases. It is shown that the heterocycles as the coupling units have influence on the stabilities of the high-spin ground states. That the heteroatom lying in m -phenyl can improve ferromagnetic coupling, while the heteroatom lying in o -phenyl or p -phenyl is not in favor of the ferromagnetic coupling.
文摘A truncated shell model approach is applied to the description of high-spinstates for <sup>162</sup>Hf and <sup>164</sup>Hf isotopes.The backbends of the moment of inertia are repro-duced well by the calculation.The results show that the approach is able to investigatethe yrast states of nuclei in rare earth region.
基金funded by National Natural Science Foundation of China(61201391)。
文摘Phase-frequency characte ristics of approximate sinusoidal geomagnetic signals can be used fo r projectile roll positioning and other high-precision trajectory correction applications.The sinusoidal geomagnetic signal deforms in the exposed and magnetically contaminated environment.In order to preciously recognize the roll information and effectively separate the noise component from the original geomagnetic sequence,based on the error source analysis,we propose a moving horizon based wavelet de-noising method for the dual-observed geomagnetic signal filtering where the captured rough roll frequency value provides reasonable wavelet decomposition and reconstruction level selection basis for sampled sequence;a moving horizon window guarantees real-time performance and non-cumulative calculation amount.The complete geomagnetic data in full ballistic range and three intercepted paragraphs are used for performance assessment.The positioning performance of the moving horizon wavelet de-noising method is compared with the band-pass filter.The results show that both noise reduction techniques improve the positioning accuracy while the wavelet de-noising method is always better than the band-pass filter.These results suggest that the proposed moving horizon based wavelet de-noising method of the dual-observed geomagnetic signal is more applicable for various launch conditions with better positioning performance.
基金Supported by the National Natural Science Foundation of China( No.2 980 4 0 0 2,2 0 2 74 0 0 6 ) ,FokYing-TungEducationFoundation( No.710 13) and Foundation of Northeast Normal University( No.1114 34)
文摘The effect of the conformation on the spin multiplicity of the ground state and the stability of the ground state were investigated for m-phenylene type of biradicals by means of comparative study with DFT, CASSCF and AM1-CI approaches. It was found that AM1-CI approach is reliable in dealing with the stability of the high-spin ground state with the change of conformation; DFT method can give the reasonable results of the spin density of the high-spin state. Furthermore, when one or two radical centers are twisted sufficiently out of the conjugation with the benzene ring, m-phenylene turns into weak ferromagnetic and weak antiferromagnetic coupling units, respectively.
基金Supported partially by the National Natural Science Foundation of China under Grant No 10334080.
文摘Here a direct calculation of the dipolar interaction in a single crystal Mn12, with all of Mn ions summed, shows that a transition between ferromagnetic and antiferromagnetic ground states takes place where the dimension along the α（b） axis versus the dimension along the c axis reaches a certain critical value. It is shown that the w ~ ~ ground state is dependent upon the shape of the specimen. The reason of the shape dependence of ordering is that dipolar interaction is of long-range nature and the sign of dipolar interaction is dependent on the direction.
