The ground and very low-lying excited states of all 120 first- and second-row diatomic molecules are surveyed. Three quarters of these molecules have had their ground state term symbols reliably experimentally determined. However, one quarter remain predicted only theoretically. For all 120 species, the best available experimental (where known) and theoretical values for the dissociation energies to ground state atoms are also presented. The Aufbau principle, combined with standard energy ordering for the valence molecular orbitals, is able to properly account for the ground state term symbols of all but 20 of the diatomics studies. The 20 exceptions produce higher than expected ground state spin multiplicity and arise when there are 4-5 or...
Author Institution: Department of Chemistry, Louisiana State UniversityIn order to utilize the well ...
Author Institution: Department of Chemistry, Louisiana State UniversityIn order to utilize the well ...
Author Institution: Department of Chemistry, Kansas State CollegeThe simple potential function \begi...
In our previous article, we arrived at an essential relationship for T the classical vibrational per...
Abstract: In a previous article the theory of frame transformation relation between Body Oriented An...
This research was supported in part by the Research Corporation of New York.Author Institution: Depa...
$^{1}$ R. Hefferlin and M. Kutzner, J. Chem. Phys. 75, 1035 (9181): C.H. Cillespie and M. Inokuti, P...
We explore the possibility of calculating electronic excited states by using perturbation theory alo...
We explore the possibility of calculating electronic excited states by using perturbation theory alo...
$^{1}$ G.V. Calder and Klaus Ruedenberg, J. Chem. Phys., 49, 5399 (1968).""Author Institution: Ames ...
Address: Molecular Spectroscopy Division, National Bureau of Standards, Gai thersburg, MD 20899.Auth...
Address: Molecular Spectroscopy Division, National Bureau of Standards, Gai thersburg, MD 20899.Auth...
Abstract A systematic multi-reference perturbation theory investigation of the excitation energies a...
Abstract. We present a systematic understanding of the rotational structure of a long-range (vibrati...
Author Institution: Department of Chemistry Building 148--72, California Institute of TechnologyA mo...
Author Institution: Department of Chemistry, Louisiana State UniversityIn order to utilize the well ...
Author Institution: Department of Chemistry, Louisiana State UniversityIn order to utilize the well ...
Author Institution: Department of Chemistry, Kansas State CollegeThe simple potential function \begi...
In our previous article, we arrived at an essential relationship for T the classical vibrational per...
Abstract: In a previous article the theory of frame transformation relation between Body Oriented An...
This research was supported in part by the Research Corporation of New York.Author Institution: Depa...
$^{1}$ R. Hefferlin and M. Kutzner, J. Chem. Phys. 75, 1035 (9181): C.H. Cillespie and M. Inokuti, P...
We explore the possibility of calculating electronic excited states by using perturbation theory alo...
We explore the possibility of calculating electronic excited states by using perturbation theory alo...
$^{1}$ G.V. Calder and Klaus Ruedenberg, J. Chem. Phys., 49, 5399 (1968).""Author Institution: Ames ...
Address: Molecular Spectroscopy Division, National Bureau of Standards, Gai thersburg, MD 20899.Auth...
Address: Molecular Spectroscopy Division, National Bureau of Standards, Gai thersburg, MD 20899.Auth...
Abstract A systematic multi-reference perturbation theory investigation of the excitation energies a...
Abstract. We present a systematic understanding of the rotational structure of a long-range (vibrati...
Author Institution: Department of Chemistry Building 148--72, California Institute of TechnologyA mo...
Author Institution: Department of Chemistry, Louisiana State UniversityIn order to utilize the well ...
Author Institution: Department of Chemistry, Louisiana State UniversityIn order to utilize the well ...
Author Institution: Department of Chemistry, Kansas State CollegeThe simple potential function \begi...