Based on the vibrational potential curves coupled with the minimum energy reaction path, the partial potential energy surface of the reaction I＋HI→IH＋I was constructed at the QCISD（T）//MP4SDQ level with pseudo po...Based on the vibrational potential curves coupled with the minimum energy reaction path, the partial potential energy surface of the reaction I＋HI→IH＋I was constructed at the QCISD（T）//MP4SDQ level with pseudo potential method. And the formation mechanism of the scattering resonance states of this reaction was well interpreted with the partial potential energy surface. The scattering resonance states of this reaction should belong to Feshbach resonance because of the coupling of the vibrational mode and the translational mode. With the one-dimensional square potential well model, the resonance width and lifetime of the I＋HI（v=0）→IH（v＇=0）＋I state-to-state reaction were calculated, which preferably explained the high-resolved threshold photodetachment spectroscopy of the IHI- anion performed by Neumark et al..展开更多
Bound and resonance states of helium atom have been investigated inside a quantum dot by using explicitly correlated Hylleraas type basis set within the framework of stabilization method.To be specific,precise energy ...Bound and resonance states of helium atom have been investigated inside a quantum dot by using explicitly correlated Hylleraas type basis set within the framework of stabilization method.To be specific,precise energy eigenvalues of bound 1sns(~1S^e)(n=1-6)states and the resonance parameters i.e.positions and widths of^lS^e states due to 2sns(n=2-5)and 2pnp(n=2-5)configurations of confined helium below N=2 ionization threshold of He^+have been estimated.The two-parameter(Depth and Width)finite oscillator potential is used to represent the confining potential due to the quantum dot.It has been explicitly demonstrated that the electronic structural properties become sensitive functions of the dot size.It is observed from the calculations of ionization potential that the stability of an impurity ion within a quantum dot may be manipulated by varying the confinement parameters.A possibility of controlling the autoionization lifetime of doubly excited states of two-electron ions by tuning the width of the quantum cavity is also discussed here.展开更多
基金Ⅴ. ACKN0WLEDGMENTS This work was supported by the National Natural Science Foundation of China （No.20573064） and Ph.D. Special Research Foundation of Chinese Education Department.
文摘Based on the vibrational potential curves coupled with the minimum energy reaction path, the partial potential energy surface of the reaction I＋HI→IH＋I was constructed at the QCISD（T）//MP4SDQ level with pseudo potential method. And the formation mechanism of the scattering resonance states of this reaction was well interpreted with the partial potential energy surface. The scattering resonance states of this reaction should belong to Feshbach resonance because of the coupling of the vibrational mode and the translational mode. With the one-dimensional square potential well model, the resonance width and lifetime of the I＋HI（v=0）→IH（v＇=0）＋I state-to-state reaction were calculated, which preferably explained the high-resolved threshold photodetachment spectroscopy of the IHI- anion performed by Neumark et al..
基金Financial Support under Grant No.37(3)/14/27/2014-BRNS from the Department of Atomic Energy,BRNS,Government of IndiaFinancial Support under Grant No.PSW-160/14-15(ERO)from University Grants Commission,Government of India
文摘Bound and resonance states of helium atom have been investigated inside a quantum dot by using explicitly correlated Hylleraas type basis set within the framework of stabilization method.To be specific,precise energy eigenvalues of bound 1sns(~1S^e)(n=1-6)states and the resonance parameters i.e.positions and widths of^lS^e states due to 2sns(n=2-5)and 2pnp(n=2-5)configurations of confined helium below N=2 ionization threshold of He^+have been estimated.The two-parameter(Depth and Width)finite oscillator potential is used to represent the confining potential due to the quantum dot.It has been explicitly demonstrated that the electronic structural properties become sensitive functions of the dot size.It is observed from the calculations of ionization potential that the stability of an impurity ion within a quantum dot may be manipulated by varying the confinement parameters.A possibility of controlling the autoionization lifetime of doubly excited states of two-electron ions by tuning the width of the quantum cavity is also discussed here.
