β Scribed by Z.-L. Cai; Y.-F. Wang; H.-M. Xiao
No coin nor oath required. For personal study only.
π SIMILAR VOLUMES
The equilibrium geometries, excitation energies, force constants and vibrational frequencies for the low-lying electronic states X %-, a 'A, A 3n and 1 'II of the CCS molecule have been calculated at the MRSDCI level with a double-zeta plus polarization basis set. Our optimized geometric parameters
Results of a theoretical study on the electronic structure of all the molecular states of CaLi dissociating into the six lowest limits Ca+Li are reported. The method used involves effective pseudopotentials for Ca and Li, a configuration interaction calculation for the three valence electrons by the
The spectroscopic constants for the triplet and singlet states of LiB below about 30000 cm-~ are determined using an intemally contracted multireference configuration-interaction approach. The ground state is 311 as found in previous work. Transitions between the 311 state and the (1)3E-, (2)3II, an