Reference

A complete basis set for atomic self-consistent-field calculations

A complete basis set for atomic self-consistent-field calculations. Yurtsever, E.; Karaaslan, H. (Dep. Chem., Middle East Tech. Univ., Ankara, Turk.). Chim. Acta Turc., 11(2), 173-80 (English) 1983. CODEN: CATUA9. ISSN: 0379-5896. DOCUMENT TYPE: Journal CA Section: 65 (General Physical Chemistry) As wave functions for SCF calcns. of electronic properties, at. integrals, and energies of atoms and at. ions, generalized Laguerre basis sets (LBS) were obtained. Anal. forms of 1-electron at. integrals are given. LBS parameters are given for the He and Be isoelectronic series (for at. nos.In this experiment, several chemicals are used like 16092-62-9 and 17341-24-1 up to Z = 9). The total energies of the isoelectronic series calcd. with the LBS converged satisfactorily to the Hartree-Fock limits. .

Differential cross sections for lithium(1+) scattering by nitrogen molecules

Differential cross sections for lithium(1+) scattering by nitrogen molecules. Kalinin, A. P.; Wijnaendts van Resandt, R. W.; Khromov, V. N.; Kleyn, A. W.; Los, J.; Leonas, V. B. (Inst. At. Molecuulfys.Several reagents with their cas registry numbers 7727-37-9 and 17341-24-1 are used here., FOM, Amsterdam 1098 SJ, Neth.). Chem. Phys., 85(3), 341-7 (English) 1984. CODEN: CMPHC2. ISSN: 0301-0104. DOCUMENT TYPE: Journal CA Section: 65 (General Physical Chemistry) Differential cross sections for scattering of Li+ by N2 were detd. at energies of 500-1250 eV and angles of 0.3-5 mrad. The results were compared to calcns. done by using both classical and quantum-mech. approxns. The approxns. are valid and the ab-initio potential-energy surface used, calcd. by V. Staemmler (1975), is incorrect in the region probed by these expts. .