Lying Excited States of the Hydrogen Molecule in Cylindrical Harmonic Confinement

The low-lying excited states of the hydrogen molecule conhned in the harmonic potential were studied using the configuration interaction method and large basis sets. Axially symmetric harmonic oscillator potentials were used. The effect of the confinement on the geometry and spectroscopic constants was analyzed. Detailed analysis of the effect of confinement on the composition of the wavefunction was performed. 

Molecules in magnetic fields 4. Final remarks and conclusions Acknowledgements References 

The study of atoms and molecules in external fields is a fascinating area of research that has attracted much attention from different areas of science and engineering. Following the influential work of Loudon in 1959, in which he performed the quantum mechanical analysis of the behavior of a one-dimensional hydrogen atom in various Coulomb potentials [1], many studies have been carried out to understand the physics of excitons (hydrogen-like electron-hole pair) and some related systems [2-5]. The discovery of neutron stars and white dwarf stars further motivated rapid development of this field since it stimulated the interest of studying the variation of electronic structure and behavior of atomic and 

ADVANCES IN QUANTUM CHEMISTRY, VOLUME 48 ISSN 0065-3276 DOI I0.I0I6/S0065-3276(05)48006-5 

Within the Born-Oppenheimer approximation, the non-relativistic electronic Hamiltonian of an A-electron molecular system in the presence of an external potential can be written (in atomic units) as 

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Low-Lying Excited States of the Hydrogen Molecule in Cylindrical Harmonic Confinement... 

J.M.H. Lo, M. Klobukowski, G.H.F. Diercksen, Low-lying excited states of the hydrogen molecule in cylindrical harmonic confinement, Adv Quantum. Chem. 48 (2005) 59-89. 

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