@article{4e09e32f52da4f459183cc87f5ab72e9,
title = "On the use of overllapping spheres in the SCF Xα scattered-wave method",
abstract = "The use of overlapping spheres in the SCF Xα scattered-wave method is discussed. It leads to an improved description of both the ionization potentials and total energies of molecules where a substantial fraction of the charge due to the valence electrons is distributed over the interatomic region of constant potential. The effects of using improved exchange parameters for hydrogen-containing molecules are also considered. Results for ethylene, benzene, and carbon monoxide are reported.",
author = "N. R{\"o}sch and Klemperer, {W. G.} and Johnson, {K. H.}",
note = "Funding Information: f Research sponsored by the Air Force Office of Scientific Research, United Slates Air Force (AFSC), under Con-tract No. F4462069C-0054. tf Permanent address: Lehrstuhl frir Tbeoretische Chemie de; Technischen Universitit Mlnchen, D-8 hfiinchen 2, West Germany. ?{\textquoteleft}!? Present address: Chemistry Department, Columbia Uni-versity. Funding Information: We would like to acknowledget hat Dr. D. Liber-man [29] of the Los Alamos Scientific Laboratory has independently arrived at many of the samec on-clusions concerning the use of overlappings pheresi n the SCF Xru SW method, and we are grateful to him for valuable discussions.O ne of us (N .R.) is grateful to the DeutscheF orschungsgemelnschaffto r financial . support.",
year = "1973",
month = nov,
day = "15",
doi = "10.1016/0009-2614(73)80238-6",
language = "English",
volume = "23",
pages = "149--154",
journal = "Chemical Physics Letters",
issn = "0009-2614",
publisher = "Elsevier B.V.",
number = "2",
}