This paper analyzes the energy levels along the even-parity J = 1 and 2 Rydberg series of Sn I by multichannel quantum defect theory. A good agreement between theoretical and experimental energy levels was achieved. B...This paper analyzes the energy levels along the even-parity J = 1 and 2 Rydberg series of Sn I by multichannel quantum defect theory. A good agreement between theoretical and experimental energy levels was achieved. Below 59198 cm^-1, a total of 85 and 23 new energy levels, respectively, in the J = 1 and J = 2 series, which cannot be measured previously by experiments, are predicted in this work. Based on the calculated admixture coefficients of each channel, interchannel interactions were discussed in detail. The results are helpful to understand the characteristics of configuration interaction among even-parity levels in Sn I.展开更多
We calculate the diamagnetic spectrum of lithium at highly excited states up to the positive energy range using the exact quantum defect theory approach. The concerned excitation is one-photon transition from the grou...We calculate the diamagnetic spectrum of lithium at highly excited states up to the positive energy range using the exact quantum defect theory approach. The concerned excitation is one-photon transition from the ground state 2s to the highly excited states np with π and σ polarizations respectively. Lithium has a small quantum defect value 0.05 for the np states, and its diamagnetic spectrum is very similar to that of hydrogen in the energy range approaching the ionization limit. However, a careful calculation shows that the spectrum has a significant discrepancy with that of hydrogen when the energy is lower than -70 cm-1. The effect of the quantum defect is also discussed for the Stark spectrum. It is found that the σ transition to the np states in an electric field has a similar behavior to that of hydrogen due to zero interaction with channel ns.展开更多
We report in this paper energy positions of the 2P˚_2s^(2)2p^(2)(^(1)D)nd 2P,2P˚_2s^(2)2p^(2)(^(1)D)nd 2S,2P˚_2s^(2)2p^(2)(^(1)D)ns^(2)D,2P˚_2s^(2)2p^(2)(^(1)S)nd ^(2)D,and 2P˚_2s^(2)2p^(3)(^(3)P)np ^(2)D Rydberg seri...We report in this paper energy positions of the 2P˚_2s^(2)2p^(2)(^(1)D)nd 2P,2P˚_2s^(2)2p^(2)(^(1)D)nd 2S,2P˚_2s^(2)2p^(2)(^(1)D)ns^(2)D,2P˚_2s^(2)2p^(2)(^(1)S)nd ^(2)D,and 2P˚_2s^(2)2p^(3)(^(3)P)np ^(2)D Rydberg series in the photoionization spectra originating from 2P˚metastable state of O+ions.Calculations are performed up to n=30 using the Modified Orbital Atomic Theory(MAOT).The present results are compared to the experimental data of Aguilar which are the only available values.The accurate data presented in this work may be a useful guideline for future experimental and other theoretical studies.展开更多
We report in this paper energy positions of the 2D<sup>0</sup>_2s<sup>2</sup>2p<sup>2</sup>(<sup>1</sup>D)nd(<sup>2</sup>F);2D<sup>0</sup>_2s<...We report in this paper energy positions of the 2D<sup>0</sup>_2s<sup>2</sup>2p<sup>2</sup>(<sup>1</sup>D)nd(<sup>2</sup>F);2D<sup>0</sup>_2s<sup>2</sup>2p<sup>2</sup>(<sup>1</sup>D)nd(<sup>2</sup>D);2D<sup>0</sup>_2s<sup>2</sup>2p<sup>2</sup>(<sup>1</sup>D)nd(<sup>2</sup>P);2D<sup>0</sup>_2s<sup>2</sup>2p<sup>2</sup>(<sup>1</sup>D)ns(<sup>2</sup>D);2D<sup>0</sup>_2s<sup>2</sup>2p<sup>3</sup>(<sup>3</sup>D)np(<sup>2</sup>P);2D<sup>0</sup>_2s<sup>2</sup>2p<sup>3</sup>(<sup>3</sup>D<sup>0</sup>)np(<sup>2</sup>F), and 4S<sup>0</sup>_2s<sup>2</sup>2p<sup>3</sup>(<sup>5</sup>S<sup>0</sup>)np(<sup>4</sup>P) Rydberg series in the photoionization spectra originating from 2D<sup>0</sup> and 4S<sup>0</sup> metastable states of O<sup>+</sup> ion. Calculations are performed up to n = 20 using the Modified Orbital Atomic Theory (MAOT) [1]. The present results are compared to the experimental data of Aguilar et al. [2] which are the only available values. The accurate data presented in this work may be a useful guideline for future experimental and other theoretical studies.展开更多
Energy levels of the odd-parity 6pnd J=2 Rydberg states of atomic lead are analyzed by the multichannel quantum defect theory (MQDT) with previous experimental energy levels. The obtained. Using these parameters, admi...Energy levels of the odd-parity 6pnd J=2 Rydberg states of atomic lead are analyzed by the multichannel quantum defect theory (MQDT) with previous experimental energy levels. The obtained. Using these parameters, admixture coefficients for each level are calculated to designate the level denotations. The results show that strong channel mixings exist for the levels near the 6pnd (3/2)[5/2]2 0 and 6p6d (3/2)[3/2]2 0 pertubers. The five-channel model different from that in literature is used to predict 21 energy positions of 6pnd (1/2)[3/2]2 0 levels and to determine the denotations of all the 6pnd J=2 Rydberg states under 59788 cm?1 for Pb I.展开更多
In the framework of multi-channel quantum defect theory, eigenquantum defects μα and the transformation matrices Uiα of La＋ are calculated from first principles by relativistic multi-channel theory, while the dipo...In the framework of multi-channel quantum defect theory, eigenquantum defects μα and the transformation matrices Uiα of La＋ are calculated from first principles by relativistic multi-channel theory, while the dipole matrix elements DCr are obtained by fitting with experimental data. Then the ionic autoionization spectra of lanthanum via the intermediate state [Xe]5d6d 1p1 in the energy region of 90213-91905 cm-1 axe obtained. Experimental peaks are classified and assigned by comparing with the corresponding calculated spectra. More specifically, four ionic autoionization Rydberg series converging to La2＋ 5d5/2 2D5/2 and several states converging to higher lying states of La2＋ are found and assigned.展开更多
The full-core plus correlation method with multi-configuration interaction wave functions is extended to the calcu- lation of the non-relativistic energies of ls2nd （n ≤9） states for the lithium isoelectronic seque...The full-core plus correlation method with multi-configuration interaction wave functions is extended to the calcu- lation of the non-relativistic energies of ls2nd （n ≤9） states for the lithium isoelectronic sequence from Z = 11 to 20. Relativistic and mass-polarization effects on the energy are calculated as the first-order perturbation correction. The quantum-electrodynamics correction is also included. The fine structure splittings are determined from the expectation values of spin-orbit and spin-other-orbit interaction operators in the Pauli-Breit approximation. Combining the term energies of lowly excited states obtained with the quantum defects calculated by the single channel quantum defect theory, each of which is a smooth function of energy and approximated by a weakly varying function of energy, the ion potentials of highly excited states （n ≥ 6） are obtained with the semi-empirical iteration method. The results are compared with experimental data in the literature and found to be closely consistent with the regularity.展开更多
基金Project supported by the National Natural Science Foundation of China (Grant No 10574056)the Program for New Century Excellent Talents in University (China)
文摘This paper analyzes the energy levels along the even-parity J = 1 and 2 Rydberg series of Sn I by multichannel quantum defect theory. A good agreement between theoretical and experimental energy levels was achieved. Below 59198 cm^-1, a total of 85 and 23 new energy levels, respectively, in the J = 1 and J = 2 series, which cannot be measured previously by experiments, are predicted in this work. Based on the calculated admixture coefficients of each channel, interchannel interactions were discussed in detail. The results are helpful to understand the characteristics of configuration interaction among even-parity levels in Sn I.
基金Project supported by the National Natural Science Foundation of China (Grant Nos. 11174329 and 91121005)the National Basic Research Program of China (Grant No. 2013CB922003)
文摘We calculate the diamagnetic spectrum of lithium at highly excited states up to the positive energy range using the exact quantum defect theory approach. The concerned excitation is one-photon transition from the ground state 2s to the highly excited states np with π and σ polarizations respectively. Lithium has a small quantum defect value 0.05 for the np states, and its diamagnetic spectrum is very similar to that of hydrogen in the energy range approaching the ionization limit. However, a careful calculation shows that the spectrum has a significant discrepancy with that of hydrogen when the energy is lower than -70 cm-1. The effect of the quantum defect is also discussed for the Stark spectrum. It is found that the σ transition to the np states in an electric field has a similar behavior to that of hydrogen due to zero interaction with channel ns.
文摘We report in this paper energy positions of the 2P˚_2s^(2)2p^(2)(^(1)D)nd 2P,2P˚_2s^(2)2p^(2)(^(1)D)nd 2S,2P˚_2s^(2)2p^(2)(^(1)D)ns^(2)D,2P˚_2s^(2)2p^(2)(^(1)S)nd ^(2)D,and 2P˚_2s^(2)2p^(3)(^(3)P)np ^(2)D Rydberg series in the photoionization spectra originating from 2P˚metastable state of O+ions.Calculations are performed up to n=30 using the Modified Orbital Atomic Theory(MAOT).The present results are compared to the experimental data of Aguilar which are the only available values.The accurate data presented in this work may be a useful guideline for future experimental and other theoretical studies.
文摘We report in this paper energy positions of the 2D<sup>0</sup>_2s<sup>2</sup>2p<sup>2</sup>(<sup>1</sup>D)nd(<sup>2</sup>F);2D<sup>0</sup>_2s<sup>2</sup>2p<sup>2</sup>(<sup>1</sup>D)nd(<sup>2</sup>D);2D<sup>0</sup>_2s<sup>2</sup>2p<sup>2</sup>(<sup>1</sup>D)nd(<sup>2</sup>P);2D<sup>0</sup>_2s<sup>2</sup>2p<sup>2</sup>(<sup>1</sup>D)ns(<sup>2</sup>D);2D<sup>0</sup>_2s<sup>2</sup>2p<sup>3</sup>(<sup>3</sup>D)np(<sup>2</sup>P);2D<sup>0</sup>_2s<sup>2</sup>2p<sup>3</sup>(<sup>3</sup>D<sup>0</sup>)np(<sup>2</sup>F), and 4S<sup>0</sup>_2s<sup>2</sup>2p<sup>3</sup>(<sup>5</sup>S<sup>0</sup>)np(<sup>4</sup>P) Rydberg series in the photoionization spectra originating from 2D<sup>0</sup> and 4S<sup>0</sup> metastable states of O<sup>+</sup> ion. Calculations are performed up to n = 20 using the Modified Orbital Atomic Theory (MAOT) [1]. The present results are compared to the experimental data of Aguilar et al. [2] which are the only available values. The accurate data presented in this work may be a useful guideline for future experimental and other theoretical studies.
基金This work was supported by the National Natural Science Foundation of China (Grant No. 19774026).
文摘Energy levels of the odd-parity 6pnd J=2 Rydberg states of atomic lead are analyzed by the multichannel quantum defect theory (MQDT) with previous experimental energy levels. The obtained. Using these parameters, admixture coefficients for each level are calculated to designate the level denotations. The results show that strong channel mixings exist for the levels near the 6pnd (3/2)[5/2]2 0 and 6p6d (3/2)[3/2]2 0 pertubers. The five-channel model different from that in literature is used to predict 21 energy positions of 6pnd (1/2)[3/2]2 0 levels and to determine the denotations of all the 6pnd J=2 Rydberg states under 59788 cm?1 for Pb I.
基金Project supported by the National Natural Science Foundation of China (Grant Nos 10574162 and 10774186)the Scientific Research Fund of Graduate University of the Chinese Academy of Sciences (Grant No 055101BM03)
文摘In the framework of multi-channel quantum defect theory, eigenquantum defects μα and the transformation matrices Uiα of La＋ are calculated from first principles by relativistic multi-channel theory, while the dipole matrix elements DCr are obtained by fitting with experimental data. Then the ionic autoionization spectra of lanthanum via the intermediate state [Xe]5d6d 1p1 in the energy region of 90213-91905 cm-1 axe obtained. Experimental peaks are classified and assigned by comparing with the corresponding calculated spectra. More specifically, four ionic autoionization Rydberg series converging to La2＋ 5d5/2 2D5/2 and several states converging to higher lying states of La2＋ are found and assigned.
基金Project supported by the National Natural Science Foundation of China (Grant No.11074102)the Natural Science Foundation of Liaoning Province of China (Grant No.20092172)
文摘The full-core plus correlation method with multi-configuration interaction wave functions is extended to the calcu- lation of the non-relativistic energies of ls2nd （n ≤9） states for the lithium isoelectronic sequence from Z = 11 to 20. Relativistic and mass-polarization effects on the energy are calculated as the first-order perturbation correction. The quantum-electrodynamics correction is also included. The fine structure splittings are determined from the expectation values of spin-orbit and spin-other-orbit interaction operators in the Pauli-Breit approximation. Combining the term energies of lowly excited states obtained with the quantum defects calculated by the single channel quantum defect theory, each of which is a smooth function of energy and approximated by a weakly varying function of energy, the ion potentials of highly excited states （n ≥ 6） are obtained with the semi-empirical iteration method. The results are compared with experimental data in the literature and found to be closely consistent with the regularity.
