On the Ground State of Lithium

Abstract

Wave functions of several forms have been applied to the treatment to the ground state of Li. It is found that errors in the representation of the K shell have but little effect on the computed ionization energy, and that a satisfactory orbital for the L electron can be constructed in a very simple form. The best wave function in which the relative positions of the K and L electrons are not taken into account gives an ionization energy in error by 0.05 ev. To take

Asymptotic-expansion method for the evaluation of correlated three-electron integrals

“…[7 -13].The main technique used by these authors (except Fromm and Hill) is to expand r, in terms of individual coordinates r and r, as well as Legendre polynomials. One way to avoid infinite summations is to place some restrictions on the choice of basis set so that at least one of the three powers in each integral is even [7,8,11,14]. However, such restrictions may seriously affect the rate of convergence of the basis set.…”

Evaluation of two‐center, two‐ and three‐electron integrals involving correlation factors over Slater‐type orbitals. II. Kinetic and potential energy integrals and examples of numerical results

“…(31) T = 1, -1 for the orbital localized at the centersA or B, respectively. Using the relations 7 cpn*rmijr -P ) c p n~/ ' m~~, ( r -P ' ) F n / m f ( [ , q , cp; R,T; u ) . Table I, we can determine the coefficients Gp, for each case discussed here.…”

VUV-synchrotron absorption studies of N2 and CO at 900K

“…This was a substantial improvement of about 5 500 cm −1 with respect to the best theoretical values available at the time. Over the years improvements on the accuracy has been obtained [7,8,9,10,11,12], and important methodical reviews can be found in Refs. [13,14,15,16,17].…”