화학공학소재연구정보센터
Chemical Physics Letters, Vol.378, No.1-2, 35-41, 2003
Short-range interactions in ground state H-2(+) using fluctuation theory techniques
Fluctuation theory techniques are used to evaluate short-range interactions in ground state H-2(+) by calculating in a direct way small energy differences taken with respect to the ground state of the united atom He+. Appropriate coordinate transformation allows to obtain inner and outer Hermitean eigenvalue equations, which are then solved perturbatively in positive powers of the internuclear distance R choosing He+ as unperturbed problem. The separation constants are deduced from the regularity conditions on the functions. Next, the function endowed with the right symmetry is constructed by solving an integral equation in a perturbative way. A second-order approximation gives short-range interaction coefficients which are exact up to R-5. (C) 2003 Elsevier B.V. All rights reserved.