Zobrazeno 1 - 4
of 4
pro vyhledávání: '"Luo, Hua-feng"'
Publikováno v:
Acta Physica Sinica. 68:173102
The potential energy curves and transition dipole moments (TDMs) for three Λ-S states (X2Σ+, A2Π, and B2Σ+) of potassium chloride anion (KCl–) are investigated by using multi-reference configuration interaction (MRCI) method. The def2-AQZVPP-JK
Publikováno v:
Acta Physica Sinica. 67:043101
BH+ cation is one of the candidates for laser cooling. The potential energy curves (PECs) for nine electronic states (X2+, A2, B2+, a4, b4+, 32+, 22, 32, 42+) relating to the B+(1Sg)+H(2Sg), B+(3Pu)+H(2Sg), B(2Pu)+H+(1Sg), and B+(1Pu)+H(2Sg) dissocia
Publikováno v:
Acta Physica Sinica. 61:147101
By using the first-principles ultrasoft pseudo-potential approach of the plane wave based on the density functional theory, the electronic structures and their changes, the bandstructures, the densities of states, and the charge densities of pure Be-
Publikováno v:
Acta Physica Sinica. 59:6457
Based on the density functional theory,the structure of pure ZnO and N, Li, and Li-N codoped wurtzite ZnO has been investigated by using first-principle plane wave ultrasoft pseudopotential method. The band structure, total density of states, partial