Zobrazeno 1 - 10
of 10
pro vyhledávání: '"Sun, Jin"'
Publikováno v:
Communications in Theoretical Physics. 53:331-338
The PD(X3Σ−) interaction potential is constructed using the CCSD(T) theory and the basis set, aug-cc-pV5Z. Using this potential, the spectroscopic parameters are accurately determined. The present Do, De, Re, ωe, ωeχe, αe, and Be are of 3.056
Publikováno v:
Chinese Physics B. 19:013501-8
An interaction potential for an N2(X1σ+g) molecule is constructed by using the highly accurate valence internally contracted multireference configuration interaction method and the largest basis set, aug–cc–pV6Z, in the valence range. The potent
Publikováno v:
Chinese Physics B. 17:4481-4484
This paper applies the symmetry-adapted-cluster/symmetry-adapted-cluster configuration-interaction (SAC/SAC-CI) method to optimize the structures for X1Σ+, A1Π and C1Σ- states of SiO molecule with the basis sets D95++, 6-311++G and 6-311++G**. Com
Publikováno v:
Chinese Physics. 14:1566-1570
The energies, equilibrium geometries and harmonic frequencies of the triplet excited states (a3Σu+ and b3Πu) of spin-aligned trimer 7Li2 are firstly calculated by using a symmetry adapted cluster-configuration interaction method. The potential curv
Publikováno v:
Communications in Theoretical Physics. 28:17-22
Within the framework of slave-boson mean-field theory, we study the thermodynamic properties of the periodic Anderson lattice model with half-filled conduction band and one 4f electron at each primitive cell and the degeneracy . It is found that afte
Publikováno v:
Acta Physica Sinica (Overseas Edition). 4:247-253
We have studied the properties of the amplitude-N-th powered squeezing of an electromagnetic field in the k-photon Jaynes-Cummings model of an atom initially being in the ground state and coupling with the superposition state. The results show that,
Publikováno v:
Chinese Physics B. 22:103102
The high level quantum chemistry ab inito multi-reference configuration interaction (MRCI) method with large V5Z basis set is used to calculate the spectroscopic properties of the 15 Λ—S electronic states (X1Σ+, A1Π, 1Δ, 1Σ−, 3Σ+, 3Π, 3Δ,
Publikováno v:
Chinese Physics B. 19:113501
Interaction potentials for LiCl(X1Σ+) are constructed by the highly accurate valence internally contracted multireference configuration interaction in combination with a number of large correlation-consistent basis sets, which are used to determine
Publikováno v:
Chinese Physics B. 19:103401
The potential energy curve of the Cl2(X1?g +) is investigated by the highly accurate valence internally contracted multireference configuration interaction (MRCI) approach in combination with the largest correlation-consistent basis set, aug-cc-pV6Z,
Publikováno v:
Chinese Physics Letters. 27:023202
The elastic scattering properties for collisions between ultracold Na and K atoms in the singlet state are investigated. Based on the recent theoretical and experimental results, the improved hybrid potential is presented for the singlet X1 Σg+ grou