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Examination of Potential Energy Curves of CFCl by Multi-reference Configuration Interaction Method
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作者 孙二平 刘启鑫 +3 位作者 任廷琦 单石敏 徐海峰 闫冰 《Chinese Physics Letters》 SCIE CAS CSCD 2015年第12期43-46,共4页
We give a detailed examination of potential energy curves of the singlet and triplet states of CFC1 correlated with the lowest three dissociation limits. The calculations are carried out at the internally contracted m... We give a detailed examination of potential energy curves of the singlet and triplet states of CFC1 correlated with the lowest three dissociation limits. The calculations are carried out at the internally contracted multi- reference configuration interaction/cc-pV(T+d)Z level with the other two geometric parameters fixed at the state equilibrium conformation. The vertical transition energy, the oscillator strength, the main configuration and the electron transition are also investigated at the same level. 展开更多
关键词 Examination of potential energy Curves of CFCl by Multi-reference Configuration interaction Method CL LENGTH CFC
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Potential energy curve study on the ^3Π electronic states of GaX (X=F, Cl, and Br) molecules
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作者 曹云斌 杨传路 +1 位作者 王美山 马晓光 《Chinese Physics B》 SCIE EI CAS CSCD 2013年第12期221-224,共4页
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
关键词 potential energy curve analytical potential energy function spectroscopic parameters multi-reference interaction configuration
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Energy Budgets on the Interactions between the Mean and Eddy Flows during a Persistent Heavy Rainfall Event over the Yangtze River Valley in Summer 2010 被引量:11
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作者 傅慎明 汪汇洁 +1 位作者 孙建华 张元春 《Journal of Meteorological Research》 SCIE CSCD 2016年第4期513-527,共15页
In this study,a persistent heavy rainfall event(PHRE) that lasted for around 9 days(from 0000 UTC 17 to0000 UTC 26 June 2010) and caused accumulated precipitation above 600 mm over the Yangtze River valley,was rea... In this study,a persistent heavy rainfall event(PHRE) that lasted for around 9 days(from 0000 UTC 17 to0000 UTC 26 June 2010) and caused accumulated precipitation above 600 mm over the Yangtze River valley,was reasonably reproduced by the advanced research WRF model.Based on the simulation,a set of energy budget equations that divided the real meteorological field into the mean and eddy flows were calculated so as to understand the interactions between the precipitation-related eddy flows and their background circulations(BCs).The results indicated that the precipitation-related eddy flows interacted with their BCs intensely during the PHRE.At different layers,the energy cycles showed distinct characteristics.In the upper troposphere,downscaled energy cascade processes appeared,which favored the maintenance of upper-level eddy flows;whereas,a baroclinic energy conversion,which reduced the upper-level jet,also occurred.In the middle troposphere,significant upscaled energy cascade processes,which reflect the eddy flows' reactionary effects on their BCs,appeared.These effects cannot be ignored with respect to the BCs' evolution,and the reactionary effects were stronger in the dynamical field than in the thermodynamical field.In the lower troposphere,a long-lived quasi-stationary lower-level shear line was the direct trigger for the PHRE.The corresponding eddy flows were sustained mainly through the baroclinic energy conversion associated with convection activities.Alongside this,the downscaled energy cascade processes of kinetic energy,which reflect the direct influences of BCs on the precipitation-related eddy flows,were also favorable.A downscaled energy cascade of exergy also appeared in the lower troposphere,which favored the precipitation-related eddy flow indirectly via the baroclinic energy conversion. 展开更多
关键词 persistent heavy rainfall kinetic energy available potential energy scale interaction Yangtze and Huaihe River valley
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