Analytic Potential Energy Function and Stability for UHⁿ⁺ (n=1, 2, 3)

Key words: 
• molecular ion /
• potentional energy function /
• density function theory

Abstract: The theoretical study on UH n+ (n=1, 2, 3) ions using density functi onal method shows that UH + (x 5 Σ) is stable, and UH 3+ (x 5 Σ) ion is unstable. While the potential energy curve of UH 2+ (x 4 Σ) has both minimum and maximum, which is so-called the "energy trapped" molecules. This sort of potential maximum is chiefly due to Co ulomb repulsion. The perturbation effect of ionic charges has been proposed to e xplain why the maximum can exist for diatomic...