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孙卫国, By WEIGUO SUN
MOLECULAR PHYSICS, 1997, VOL. 92 No.1, 105-108,-0001,():
-1年11月30日
The energy-consistent method for calculating accurate potential energy curves of diatomic states is proposed based on a modified Murrel-Sorbie (MS) potential. The accurate vibrational eigenvahues and eigenfunctions for the physical potentials of stable diatomic moleculegs are obtained using this method. The artefact of the MS potential shown in the Huxley-Murrell formulation dissappearss in the present method.
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孙卫国, Hao Feng, * Weiguo Sun, *, and Qineng Liu†
Journal of Molecular Spectroscopy 204, 80-84 (2000),-0001,():
-1年11月30日
An analytical five-term expansion potential is suggested to improve the recently proposed energy consistent method (ECM) potential based on a three-term expansion [Weiguo Sun, Mol. Phys. 92, 105 (1997) and Weiguo Sun and Hao Feng, J. Phys. B: At., Mol. Opt. Phys. 32, 5109 (1999)]. Applications of the new ECM to the electronic excited state 31Ⅱ of NaK, the excited state 23Σ+g of Na2, and the excited states 31Σ+u 1 and 31Ⅱu of K2 molecules show that the new ECM potential not only agrees excellently with the known Rydberg-Klein-Rees (RKR) data or accurate configuration interaction (CI) studies but also gives the potential data at the molecular asymptote and the dissociation region where experimental and quantum mechanical studies may have difficulties. The new ECM can correct the artifact which appeared in the three-term expansion potentials of both the previous ECM and the Huxley-Murrell-Sorbie (HMS) potential and can describe some states to which both the previous ECM and the HMS fail.
energy consistent method, potential, electronic excited states.,
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孙卫国, SUN Weiguo and Michael A. Moffison
SCIENCE IN CHINA (Series A) 1999 42 (9): 1003~1008,-0001,():
-1年11月30日
The vibrational excitation differntial coross sections (DCS) of low-energy eleeltron-N2 soattering are studied using vibrational elm-coupling (VCC) scattering method and quantum scattering potentials which include starie, exchange, and polarizatinn contributions hased on ab initio calculation. By including the contributions of 11 partial waves (up to l=21), 15 vibrational states, and 16 molecular symmetries (up to A=7), the converged vibrational excitation (0→2, 0→3, 0→4) DCSs. the scattering resonance, and the vibrational multi-peak structtore agree well with experimenial results.
moleulcular scattering,, vibrational excitation,, cross scollons.,
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孙卫国, Michael A. Morrison, Weiguo Sun, * William A. Isaacs, and Wayne K. Trail
PHYSICAL REVIEW A 1997, 55 (4): 2786~2798,-0001,():
-1年11月30日
The calculation of electron-molecule cross sections at scattering energies well below 0.1 eV using conventional algorithms for solving the Schr
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孙卫国, Weiguo Sun and C.W.McCurdy B.H. Lengsfield III
PHYSICAL REVIEW A 1992, 45 (9): 6323~6331,-0001,():
-1年11月30日
Theoretical studies of low-energy electron-silane scattering are reported in whichtarget polarization is included by using an ab intion optical potential. These calculations employ the complex Kohn scattering method and were underkaken both at the static-exchange level and with target polarizatin. Aploarized wirtual-orbital method, which was introduced in our earlier study of electron-methane scattering, was also employedin this study co generate a compact description of the closed channels included in the optical potential. Differential, integral, and momentum-transfer cross sections a Ramsaurer-Townsend minimum at 0.3eV and a broad d-wave shape resonance at 3.0eV. Excellent agreement is found between our polarized Kohn results and the recent experimental resultsof Wan, Moore, and Tosssel[J. Chem. Phys. 91, 7340 (1989)].
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