Three new multicoefficient correlation methods (MCCMs) called BMC-QCISD, BMC-CCSD,
and BMC-CCSD-C are optimized against 274 data that include atomization energies …

Core-valence basis sets for the alkali and alkaline earth metals Li, Be, Na, Mg, K, and Ca are
proposed. The basis sets are validated by calculating spectroscopic constants of a variety of …

Geometry parameters, frequencies, heats of formation, and bond dissociation energies are
predicted for the simple alkaline earth (Be, Mg and Ca) fluorides, chlorides, oxides, and …

Ab initio calculations for three low-lying electronic states (X 2 Σ+, A 2 Π, and 2 2 Π) of MgCl
and MgBr molecules, including spin-orbit coupling, are performed using multi-reference …

Ab initio calculations on potential energy curves (PECs), spectroscopic constants, transition
dipole moments, radiative transition probabilities and lifetimes for the ground state (X 2 Σ+) …

The A2 r–X2 emission spectrum of the magnesium monobromide radical, MgBr, has been
recorded with a Fourier transform spectrometer modified to record double-sided …

The rotational spectrum of 24 Mg 35 Cl in its X 2 Σ+(ν= 0 and 1) state has been observed in
the 14 GHz region by using a Fourier-transform microwave spectrometer combined with a …

The possibility of laser cooling the 24Mg35Cl molecule is investigated using the electronic,
rovibrational, and hyperfine structure. Twelve low-lying Λ–S electronic states of the …

The nonadiabatic electronic structure and decay mechanisms of the spectroscopically
analyzed A 2IT state of MgCI are studied using a unique combination of rigorous ab initio …

The A2–X2+ emission band system of the MgCl molecule has been studied by means of
high-resolution Fourier transform spectroscopy. Excited MgCl molecules were produced by …