Erratum: “Potential energy, Λ doubling and Born–Oppenheimer breakdown functions for the BΠu1 ‘barrier’ state of Li2” [J. Chem. Phys. 119, 7398 (2003)]

Application of Tietz potential to study optical properties of spherical quantum dots

“…Some researchers have extended simple analytical potential functions and successfully used them in direct spectroscopic data fits for diatomic and polyatomic systems. For example, a modified Lennard-Jones potential, an expanded Morse potential, and an improved Tietz potential have been used for diatomic systems [31][32][33]. Among the aforementioned potential functions, the Tietz potential is an interesting case.…”

Application of direct potential fitting to line position data for the and states of Li2

“…Around the time of our first work [12], other groups [18,19] had also begun to explore the advantage of direct least squares determination of potential energy functions having full quantum mechanical significance, albeit with the use of derived energy levels, rather than the line positions, as input data. Several recent studies by Le Roy and co-workers [10,[20][21][22] also provide a strong impetus for the implementation of the DPF approach.…”

“…Interestingly, however, data for the B 1 P u state, which cannot be modeled simply by one of the usual Morse-based functions because of the presence of a potential maximum, have been employed recently in an elegant study by Huang and Le Roy [10] to obtain the first BOB-functions for any state of Li 2 . In terms of the A-X system, Wang et al [4] obtained tentative evidence in 1998 for an electronic isotope shift, and reported dT AX e ¼ DT AX e ð 6 Li 2 Þ À DT AX e ð 7 Li 2 Þ ¼ À0:160ð70Þcm À1 .…”

Radiative association of He+2revisited

“…The wave functions χ N (E, R) and ψ v ,N (R) were calculated by numerical integration of the radial Schrödinger equation using the Numerov-Cooley method (Numerov 1933;Cooley 1961). Resonance positions and tunneling widths were calculated employing the computer program LEVEL 7.7 (Le Roy 2005) and making use of the Airy-function boundary condition at the outermost classical turning point (Le Roy & Liu 1978) and the uniform semiclassical method (Connor & Smith 1981;Huang & Le Roy 2003). For evaluation of the continuum and bound-state wave functions in Eqs.…”